6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide

C59H68N18O9S3 — CID 165036294

IUPAC6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC.C.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(N)cnc2n1.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(NC(=O)C3CC3)cnc2n1.Cc1ccc2c(ncc3nc(C4CC4)n(Cc4ccc(S(N)(=O)=O)cn4)c32)n1.O=C(O)C1CC1
InChIInChI=1S/C19H20N6O3S.C19H18N6O2S.C15H16N6O2S.C4H6O2.2CH4/c1-11-2-7-15-17(22-8-13-5-6-14(9-21-13)29(20,27)28)16(10-23-18(15)24-11)25-19(26)12-3-4-12;1-11-2-7-15-17-16(9-22-18(15)23-11)24-19(12-3-4-12)25(17)10-13-5-6-14(8-21-13)28(20,26)27;1-9-2-5-12-14(13(16)8-20-15(12)21-9)19-6-10-3-4-11(7-18-10)24(17,22)23;5-4(6)3-1-2-3;;/h2,5-7,9-10,12H,3-4,8H2,1H3,(H,25,26)(H2,20,27,28)(H,22,23,24);2,5-9,12H,3-4,10H2,1H3,(H2,20,26,27);2-5,7-8H,6,16H2,1H3,(H2,17,22,23)(H,19,20,21);3H,1-2H2,(H,5,6);2*1H4
InChIKeyNKTYYWUEYIRDAW-UHFFFAOYSA-N
MW1269.51 g/mol
LogP7.13
Rot. Bonds15

About 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide

6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 165036294) has the molecular formula C59H68N18O9S3 and a molecular weight of 1269.51 g/mol. Its IUPAC name is 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID165036294
Molecular FormulaC59H68N18O9S3
Molecular Weight1269.51 g/mol
Exact Mass1268.46
IUPAC Name6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC.C.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(N)cnc2n1.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(NC(=O)C3CC3)cnc2n1.Cc1ccc2c(ncc3nc(C4CC4)n(Cc4ccc(S(N)(=O)=O)cn4)c32)n1.O=C(O)C1CC1
InChIInChI=1S/C19H20N6O3S.C19H18N6O2S.C15H16N6O2S.C4H6O2.2CH4/c1-11-2-7-15-17(22-8-13-5-6-14(9-21-13)29(20,27)28)16(10-23-18(15)24-11)25-19(26)12-3-4-12;1-11-2-7-15-17-16(9-22-18(15)23-11)24-19(12-3-4-12)25(17)10-13-5-6-14(8-21-13)28(20,26)27;1-9-2-5-12-14(13(16)8-20-15(12)21-9)19-6-10-3-4-11(7-18-10)24(17,22)23;5-4(6)3-1-2-3;;/h2,5-7,9-10,12H,3-4,8H2,1H3,(H,25,26)(H2,20,27,28)(H,22,23,24);2,5-9,12H,3-4,10H2,1H3,(H2,20,26,27);2-5,7-8H,6,16H2,1H3,(H2,17,22,23)(H,19,20,21);3H,1-2H2,(H,5,6);2*1H4
InChIKeyNKTYYWUEYIRDAW-UHFFFAOYSA-N
XLogP7.13
TPSA430.79 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001269.51
LogP ≤ 57.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide
CID 167160749
4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane
CID 164989212
4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide
CID 164968300
4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
CID 164987207
6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide
CID 118440658
2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-5-sulfamoylbenzoic acid
CID 138002938
4-[(3-butyl-7-methyl-2-oxoimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-3,5-difluorobenzenesulfonamide
CID 164954515
4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 62846658
4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673196
N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513237
N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456638
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide (CID 165036294) is 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide is C.C.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(N)cnc2n1.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(NC(=O)C3CC3)cnc2n1.Cc1ccc2c(ncc3nc(C4CC4)n(Cc4ccc(S(N)(=O)=O)cn4)c32)n1.O=C(O)C1CC1.
What is the InChIKey of 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is NKTYYWUEYIRDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S.C19H18N6O2S.C15H16N6O2S.C4H6O2.2CH4/c1-11-2-7-15-17(22-8-13-5-6-14(9-21-13)29(20,27)28)16(10-23-18(15)24-11)25-19(26)12-3-4-12;1-11-2-7-15-17-16(9-22-18(15)23-11)24-19(12-3-4-12)25(17)10-13-5-6-14(8-21-13)28(20,26)27;1-9-2-5-12-14(13(16)8-20-15(12)21-9)19-6-10-3-4-11(7-18-10)24(17,22)23;5-4(6)3-1-2-3;;/h2,5-7,9-10,12H,3-4,8H2,1H3,(H,25,26)(H2,20,27,28)(H,22,23,24);2,5-9,12H,3-4,10H2,1H3,(H2,20,26,27);2-5,7-8H,6,16H2,1H3,(H2,17,22,23)(H,19,20,21);3H,1-2H2,(H,5,6);2*1H4.
What are the key properties of 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 1269.51 g/mol, XLogP of 7.13, 15 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]pyridine-3-sulfonamide;cyclopropanecarboxylic acid;6-[(2-cyclopropyl-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]pyridine-3-sulfonamide;methane;N-[7-methyl-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165036294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).