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

C28H25N5O2 — CID 121393195

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncc(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1ccc2c(N)nccc2c1
InChIInChI=1S/C28H25N5O2/c1-17-3-6-22-12-18(5-8-25(22)33-17)11-20-14-24(28(35-2)32-16-20)27(34)31-15-19-4-7-23-21(13-19)9-10-30-26(23)29/h3-10,12-14,16H,11,15H2,1-2H3,(H2,29,30)(H,31,34)
InChIKeyNTARKBOIYLKMIA-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.60
Rot. Bonds6

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

N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide (PubChem CID 121393195) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
PubChem CID121393195
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncc(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1ccc2c(N)nccc2c1
InChIInChI=1S/C28H25N5O2/c1-17-3-6-22-12-18(5-8-25(22)33-17)11-20-14-24(28(35-2)32-16-20)27(34)31-15-19-4-7-23-21(13-19)9-10-30-26(23)29/h3-10,12-14,16H,11,15H2,1-2H3,(H2,29,30)(H,31,34)
InChIKeyNTARKBOIYLKMIA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide (CID 121393195) is N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide is COc1ncc(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1ccc2c(N)nccc2c1.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NTARKBOIYLKMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-17-3-6-22-12-18(5-8-25(22)33-17)11-20-14-24(28(35-2)32-16-20)27(34)31-15-19-4-7-23-21(13-19)9-10-30-26(23)29/h3-10,12-14,16H,11,15H2,1-2H3,(H2,29,30)(H,31,34).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-2-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]-2-methoxy-5-[(2-methylquinolin-6-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121393195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).