N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide

C27H23N5O — CID 118212220

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2ccc(Cc3cc(C(=O)NCc4ccc5c(N)nccc5c4)ccn3)cc2n1
InChIInChI=1S/C27H23N5O/c1-17-2-5-20-6-3-18(14-25(20)32-17)13-23-15-22(9-10-29-23)27(33)31-16-19-4-7-24-21(12-19)8-11-30-26(24)28/h2-12,14-15H,13,16H2,1H3,(H2,28,30)(H,31,33)
InChIKeyYUIGLCWKRLEJJV-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.59
Rot. Bonds5

About N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide (PubChem CID 118212220) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide
PubChem CID118212220
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2ccc(Cc3cc(C(=O)NCc4ccc5c(N)nccc5c4)ccn3)cc2n1
InChIInChI=1S/C27H23N5O/c1-17-2-5-20-6-3-18(14-25(20)32-17)13-23-15-22(9-10-29-23)27(33)31-16-19-4-7-24-21(12-19)8-11-30-26(24)28/h2-12,14-15H,13,16H2,1H3,(H2,28,30)(H,31,33)
InChIKeyYUIGLCWKRLEJJV-UHFFFAOYSA-N
XLogP4.59
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide (CID 118212220) is N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide is Cc1ccc2ccc(Cc3cc(C(=O)NCc4ccc5c(N)nccc5c4)ccn3)cc2n1.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide?
The InChIKey is YUIGLCWKRLEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-17-2-5-20-6-3-18(14-25(20)32-17)13-23-15-22(9-10-29-23)27(33)31-16-19-4-7-24-21(12-19)8-11-30-26(24)28/h2-12,14-15H,13,16H2,1H3,(H2,28,30)(H,31,33).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 4.59, 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]-2-[(2-methylquinolin-7-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).