N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide

C28H25N5O2 — CID 121393219

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2ccc3c(N)nccc3c2)cc1Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C28H25N5O2/c1-17-3-6-21-11-18(5-8-25(21)33-17)12-22-14-23(16-32-28(22)35-2)27(34)31-15-19-4-7-24-20(13-19)9-10-30-26(24)29/h3-11,13-14,16H,12,15H2,1-2H3,(H2,29,30)(H,31,34)
InChIKeyRAXAJDWJQASKEB-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.60
Rot. Bonds6

About N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide (PubChem CID 121393219) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
PubChem CID121393219
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2ccc3c(N)nccc3c2)cc1Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C28H25N5O2/c1-17-3-6-21-11-18(5-8-25(21)33-17)12-22-14-23(16-32-28(22)35-2)27(34)31-15-19-4-7-24-20(13-19)9-10-30-26(24)29/h3-11,13-14,16H,12,15H2,1-2H3,(H2,29,30)(H,31,34)
InChIKeyRAXAJDWJQASKEB-UHFFFAOYSA-N
XLogP4.60
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-{4-[3-(4-Acetylpiperazine-1-Carbonyl)phenyl]quinazolin-6-Yl}-2-Methoxypyridine-3-Carbonitrile
CID 86732669
4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquinazoline-8-carboxamide
CID 51003485
2-methoxy-5-[4-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]amino]quinazolin-6-yl]pyridine-3-carbonitrile
CID 155533050
4-Methoxypyrido [4,3-alpha]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9842573
2-[2-[(1-Aminoisoquinolin-6-yl)carbamoyl]-6-methoxy-3-pyridinyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid
CID 59095888
1-[4-[3-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 71548718
2-Methoxy-5-[4-[3-(4-methylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]pyridine-3-carbonitrile
CID 71548719
[3-[6-[6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 89517065
[5-[6-(6-Methoxy-3-pyridinyl)quinazolin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 89517226
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
CID 46868887
4-[[(1R)-1-[3-[(2-methoxypyridine-4-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869106
4-[[(1R)-1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869845

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide (CID 121393219) is N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide is COc1ncc(C(=O)NCc2ccc3c(N)nccc3c2)cc1Cc1ccc2nc(C)ccc2c1.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RAXAJDWJQASKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-17-3-6-21-11-18(5-8-25(21)33-17)12-22-14-23(16-32-28(22)35-2)27(34)31-15-19-4-7-24-20(13-19)9-10-30-26(24)29/h3-11,13-14,16H,12,15H2,1-2H3,(H2,29,30)(H,31,34).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-6-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121393219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).