4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C100H120N24O4 — CID 159101875

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1cc(C)c(C)cc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)cc(C)nc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1cc(C)c(C)cc12.Cc1cc(N2CC[C@H](N(C)C)C2)c2cc(C(=O)NC(C)C)c3nc4cc(C)c(C)cc4n3c2n1
InChIInChI=1S/C27H34N6O.C26H32N6O.C25H30N6O.C22H24N6O/c1-15(2)28-27(34)21-13-20-23(32-9-8-19(14-32)31(6)7)12-18(5)29-25(20)33-24-11-17(4)16(3)10-22(24)30-26(21)33;1-7-27-26(33)20-13-19-22(31-9-8-18(14-31)30(5)6)12-17(4)28-24(19)32-23-11-16(3)15(2)10-21(23)29-25(20)32;1-14-9-20-22(10-15(14)2)31-23-18(12-19(24(31)28-20)25(32)26-4)21(11-16(3)27-23)30-8-7-17(13-30)29(5)6;1-13-10-19(27-9-5-6-14(23)12-27)15-11-16(22(29)24-2)21-26-17-7-3-4-8-18(17)28(21)20(15)25-13/h10-13,15,19H,8-9,14H2,1-7H3,(H,28,34);10-13,18H,7-9,14H2,1-6H3,(H,27,33);9-12,17H,7-8,13H2,1-6H3,(H,26,32);3-4,7-8,10-11,14H,5-6,9,12,23H2,1-2H3,(H,24,29)/t19-;18-;17-;14-/m0001/s1
InChIKeyKDJSELKCZISLTE-XPLPFOBFSA-N
MW1722.22 g/mol
LogP14.18
Rot. Bonds13

About 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 159101875) has the molecular formula C100H120N24O4 and a molecular weight of 1722.22 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID159101875
Molecular FormulaC100H120N24O4
Molecular Weight1722.22 g/mol
Exact Mass1720.99
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1cc(C)c(C)cc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)cc(C)nc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1cc(C)c(C)cc12.Cc1cc(N2CC[C@H](N(C)C)C2)c2cc(C(=O)NC(C)C)c3nc4cc(C)c(C)cc4n3c2n1
InChIInChI=1S/C27H34N6O.C26H32N6O.C25H30N6O.C22H24N6O/c1-15(2)28-27(34)21-13-20-23(32-9-8-19(14-32)31(6)7)12-18(5)29-25(20)33-24-11-17(4)16(3)10-22(24)30-26(21)33;1-7-27-26(33)20-13-19-22(31-9-8-18(14-31)30(5)6)12-17(4)28-24(19)32-23-11-16(3)15(2)10-21(23)29-25(20)32;1-14-9-20-22(10-15(14)2)31-23-18(12-19(24(31)28-20)25(32)26-4)21(11-16(3)27-23)30-8-7-17(13-30)29(5)6;1-13-10-19(27-9-5-6-14(23)12-27)15-11-16(22(29)24-2)21-26-17-7-3-4-8-18(17)28(21)20(15)25-13/h10-13,15,19H,8-9,14H2,1-7H3,(H,28,34);10-13,18H,7-9,14H2,1-6H3,(H,27,33);9-12,17H,7-8,13H2,1-6H3,(H,26,32);3-4,7-8,10-11,14H,5-6,9,12,23H2,1-2H3,(H,24,29)/t19-;18-;17-;14-/m0001/s1
InChIKeyKDJSELKCZISLTE-XPLPFOBFSA-N
XLogP14.18
TPSA285.86 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.22
LogP ≤ 514.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 159101875) is 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CCNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1cc(C)c(C)cc12.CNC(=O)c1cc2c(N3CCC[C@@H](N)C3)cc(C)nc2n2c1nc1ccccc12.CNC(=O)c1cc2c(N3CC[C@H](N(C)C)C3)cc(C)nc2n2c1nc1cc(C)c(C)cc12.Cc1cc(N2CC[C@H](N(C)C)C2)c2cc(C(=O)NC(C)C)c3nc4cc(C)c(C)cc4n3c2n1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is KDJSELKCZISLTE-XPLPFOBFSA-N. The full InChI is InChI=1S/C27H34N6O.C26H32N6O.C25H30N6O.C22H24N6O/c1-15(2)28-27(34)21-13-20-23(32-9-8-19(14-32)31(6)7)12-18(5)29-25(20)33-24-11-17(4)16(3)10-22(24)30-26(21)33;1-7-27-26(33)20-13-19-22(31-9-8-18(14-31)30(5)6)12-17(4)28-24(19)32-23-11-16(3)15(2)10-21(23)29-25(20)32;1-14-9-20-22(10-15(14)2)31-23-18(12-19(24(31)28-20)25(32)26-4)21(11-16(3)27-23)30-8-7-17(13-30)29(5)6;1-13-10-19(27-9-5-6-14(23)12-27)15-11-16(22(29)24-2)21-26-17-7-3-4-8-18(17)28(21)20(15)25-13/h10-13,15,19H,8-9,14H2,1-7H3,(H,28,34);10-13,18H,7-9,14H2,1-6H3,(H,27,33);9-12,17H,7-8,13H2,1-6H3,(H,26,32);3-4,7-8,10-11,14H,5-6,9,12,23H2,1-2H3,(H,24,29)/t19-;18-;17-;14-/m0001/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 1722.22 g/mol, XLogP of 14.18, 13 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-2,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2,9,10-tetramethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,9,10-trimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 159101875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).