N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane

C24H24N4O2 — CID 167652755

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane
SMILESC.COc1ccccc1-c1cncc(C(=O)NCc2ccc3c(N)nccc3c2)c1
InChIInChI=1S/C23H20N4O2.CH4/c1-29-21-5-3-2-4-19(21)17-11-18(14-25-13-17)23(28)27-12-15-6-7-20-16(10-15)8-9-26-22(20)24;/h2-11,13-14H,12H2,1H3,(H2,24,26)(H,27,28);1H4
InChIKeyQUUQFGQUKGNIIE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.45
Rot. Bonds5

About N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane

N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane (PubChem CID 167652755) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane
PubChem CID167652755
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane
SMILESC.COc1ccccc1-c1cncc(C(=O)NCc2ccc3c(N)nccc3c2)c1
InChIInChI=1S/C23H20N4O2.CH4/c1-29-21-5-3-2-4-19(21)17-11-18(14-25-13-17)23(28)27-12-15-6-7-20-16(10-15)8-9-26-22(20)24;/h2-11,13-14H,12H2,1H3,(H2,24,26)(H,27,28);1H4
InChIKeyQUUQFGQUKGNIIE-UHFFFAOYSA-N
XLogP4.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)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-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 121393210
N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 121393176
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 46032155
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 165160029
methyl 2-[(1-aminoisoquinolin-6-yl)methylamino]-N-ethyl-2-oxoethanimidate
CID 139341030
N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide
CID 146370941
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3-methylisoquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213018
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
CID 60972248
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 46032131

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane (CID 167652755) is N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane is C.COc1ccccc1-c1cncc(C(=O)NCc2ccc3c(N)nccc3c2)c1.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane?
The InChIKey is QUUQFGQUKGNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.CH4/c1-29-21-5-3-2-4-19(21)17-11-18(14-25-13-17)23(28)27-12-15-6-7-20-16(10-15)8-9-26-22(20)24;/h2-11,13-14H,12H2,1H3,(H2,24,26)(H,27,28);1H4.
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane?
N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane has a molecular weight of 400.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane is sourced from PubChem (CID 167652755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).