4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C23H26N6O — CID 122523516

IUPAC4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12
InChIInChI=1S/C23H26N6O/c1-4-24-23(30)17-13-16-19(28-12-10-15(14-28)27(2)3)9-11-25-21(16)29-20-8-6-5-7-18(20)26-22(17)29/h5-9,11,13,15H,4,10,12,14H2,1-3H3,(H,24,30)/t15-/m1/s1
InChIKeyZXMVPXKVTSFOER-OAHLLOKOSA-N
MW402.50 g/mol
LogP2.93
Rot. Bonds4

About 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 122523516) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID122523516
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12
InChIInChI=1S/C23H26N6O/c1-4-24-23(30)17-13-16-19(28-12-10-15(14-28)27(2)3)9-11-25-21(16)29-20-8-6-5-7-18(20)26-22(17)29/h5-9,11,13,15H,4,10,12,14H2,1-3H3,(H,24,30)/t15-/m1/s1
InChIKeyZXMVPXKVTSFOER-OAHLLOKOSA-N
XLogP2.93
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 159688378
4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 122523537
4-[(3R)-3-aminocyclohexyl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 159660923
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;18-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carbonitrile;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide
CID 159410177
4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,9,10-trimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 161194536
4-[(3R)-3-aminopiperidin-1-yl]-N-ethyl-10-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-9,10-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile;4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,2-dimethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 159309604
N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509888
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 122511305
(2-aminocyclopropyl) 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
CID 130411809
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
4-(3,5-dimethylpiperazin-1-yl)-N-methyl-1,3,6,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 123364781
3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509931

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 122523516) is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CCNC(=O)c1cc2c(N3CC[C@@H](N(C)C)C3)ccnc2n2c1nc1ccccc12.
What is the InChIKey of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is ZXMVPXKVTSFOER-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26N6O/c1-4-24-23(30)17-13-16-19(28-12-10-15(14-28)27(2)3)9-11-25-21(16)29-20-8-6-5-7-18(20)26-22(17)29/h5-9,11,13,15H,4,10,12,14H2,1-3H3,(H,24,30)/t15-/m1/s1.
What are the key properties of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 122523516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).