N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide

C24H23ClN6O — CID 165160029

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ncc(C(=O)NCc3ccc4c(N)nccc4c3)cc2Cl)cc1
InChIInChI=1S/C24H23ClN6O/c1-31(2)19-6-4-18(5-7-19)30-23-21(25)12-17(14-28-23)24(32)29-13-15-3-8-20-16(11-15)9-10-27-22(20)26/h3-12,14H,13H2,1-2H3,(H2,26,27)(H,28,30)(H,29,32)
InChIKeyNJAUTCIZIVCEHY-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.61
Rot. Bonds6

About N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide (PubChem CID 165160029) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
PubChem CID165160029
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ncc(C(=O)NCc3ccc4c(N)nccc4c3)cc2Cl)cc1
InChIInChI=1S/C24H23ClN6O/c1-31(2)19-6-4-18(5-7-19)30-23-21(25)12-17(14-28-23)24(32)29-13-15-3-8-20-16(11-15)9-10-27-22(20)26/h3-12,14H,13H2,1-2H3,(H2,26,27)(H,28,30)(H,29,32)
InChIKeyNJAUTCIZIVCEHY-UHFFFAOYSA-N
XLogP4.61
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide 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

3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-2-[4-(dimethylamino)anilino]-3-pyridinyl]propan-1-one
CID 167604088
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
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
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 165154235
N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane
CID 167652755
N-[(1-aminoisoquinolin-6-yl)methyl]-1-[[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)-methylamino]methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 135120931
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-[(4-oxopentylamino)methyl]thiophene-2-carboxamide;methane
CID 167553538
5-chloro-6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62989408
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3-methylisoquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213018

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide (CID 165160029) is N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide is CN(C)c1ccc(Nc2ncc(C(=O)NCc3ccc4c(N)nccc4c3)cc2Cl)cc1.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
The InChIKey is NJAUTCIZIVCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c1-31(2)19-6-4-18(5-7-19)30-23-21(25)12-17(14-28-23)24(32)29-13-15-3-8-20-16(11-15)9-10-27-22(20)26/h3-12,14H,13H2,1-2H3,(H2,26,27)(H,28,30)(H,29,32).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 165160029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).