N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane

C25H28ClN7OS — CID 167535597

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane
SMILESC.Nc1nccc2cc(CNC(=O)c3cnc(NC4CCN(c5nccs5)CC4)c(Cl)c3)ccc12
InChIInChI=1S/C24H24ClN7OS.CH4/c25-20-12-17(23(33)30-13-15-1-2-19-16(11-15)3-6-27-21(19)26)14-29-22(20)31-18-4-8-32(9-5-18)24-28-7-10-34-24;/h1-3,6-7,10-12,14,18H,4-5,8-9,13H2,(H2,26,27)(H,29,31)(H,30,33);1H4
InChIKeyANCNARZBFPKPGC-UHFFFAOYSA-N
MW510.07 g/mol
LogP4.97
Rot. Bonds6

About N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane

N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane (PubChem CID 167535597) has the molecular formula C25H28ClN7OS and a molecular weight of 510.07 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane
PubChem CID167535597
Molecular FormulaC25H28ClN7OS
Molecular Weight510.07 g/mol
Exact Mass509.18
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane
SMILESC.Nc1nccc2cc(CNC(=O)c3cnc(NC4CCN(c5nccs5)CC4)c(Cl)c3)ccc12
InChIInChI=1S/C24H24ClN7OS.CH4/c25-20-12-17(23(33)30-13-15-1-2-19-16(11-15)3-6-27-21(19)26)14-29-22(20)31-18-4-8-32(9-5-18)24-28-7-10-34-24;/h1-3,6-7,10-12,14,18H,4-5,8-9,13H2,(H2,26,27)(H,29,31)(H,30,33);1H4
InChIKeyANCNARZBFPKPGC-UHFFFAOYSA-N
XLogP4.97
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.07
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 165160029
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-2-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-3-carboxamide
CID 165160025
N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)thiophene-2-carboxamide;methane
CID 167652660
N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 121393220
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 165154235
N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 121393210
N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3-cyclopentyl-2-oxopropyl)amino]methyl]thiophene-2-carboxamide;methane
CID 167693702
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide;methane
CID 167594433
N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-oxopentylamino)methyl]thiophene-2-carboxamide;methane
CID 167553538
N-[(1-aminoisoquinolin-6-yl)methyl]-1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;methane
CID 167625928
3-[acetyl-[(1-methylpiperidin-4-yl)methyl]amino]-N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-4-methylthiophene-2-carboxamide;methane
CID 167567736

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane (CID 167535597) is N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane is C.Nc1nccc2cc(CNC(=O)c3cnc(NC4CCN(c5nccs5)CC4)c(Cl)c3)ccc12.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane?
The InChIKey is ANCNARZBFPKPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7OS.CH4/c25-20-12-17(23(33)30-13-15-1-2-19-16(11-15)3-6-27-21(19)26)14-29-22(20)31-18-4-8-32(9-5-18)24-28-7-10-34-24;/h1-3,6-7,10-12,14,18H,4-5,8-9,13H2,(H2,26,27)(H,29,31)(H,30,33);1H4.
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane?
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane has a molecular weight of 510.07 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane is sourced from PubChem (CID 167535597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).