N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C21H17N5O — CID 67044182

IUPACN-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc2ccccc2cn1)c1ncccc1NCc1ccncc1
InChIInChI=1S/C21H17N5O/c27-21(26-19-12-16-4-1-2-5-17(16)14-25-19)20-18(6-3-9-23-20)24-13-15-7-10-22-11-8-15/h1-12,14,24H,13H2,(H,25,26,27)
InChIKeyRFMPWMTWBKXLMR-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.89
Rot. Bonds5

About N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 67044182) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID67044182
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc2ccccc2cn1)c1ncccc1NCc1ccncc1
InChIInChI=1S/C21H17N5O/c27-21(26-19-12-16-4-1-2-5-17(16)14-25-19)20-18(6-3-9-23-20)24-13-15-7-10-22-11-8-15/h1-12,14,24H,13H2,(H,25,26,27)
InChIKeyRFMPWMTWBKXLMR-UHFFFAOYSA-N
XLogP3.89
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-5-yl)-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 15551930
2-[(2-amino-4-pyridinyl)methylamino]-N-isoquinolin-3-ylbenzamide
CID 58763653
N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10090622
N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 10133422
N-isoquinolin-3-yl-5-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093875
N-isoquinolin-3-yl-2-[(3-thiophen-3-yl-4-pyridinyl)methylamino]benzamide
CID 12020681
N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 59080484
N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249311
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
2-(but-3-enylamino)-N-isoquinolin-3-ylpyridine-3-carboxamide
CID 142183950
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 67044182) is N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1cc2ccccc2cn1)c1ncccc1NCc1ccncc1.
What is the InChIKey of N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is RFMPWMTWBKXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(26-19-12-16-4-1-2-5-17(16)14-25-19)20-18(6-3-9-23-20)24-13-15-7-10-22-11-8-15/h1-12,14,24H,13H2,(H,25,26,27).
What are the key properties of N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-3-yl-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 67044182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).