5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C21H16ClN5O — CID 135186660

IUPAC5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2nccc3ccc(Cl)cc23)cn1
InChIInChI=1S/C21H16ClN5O/c22-16-2-1-15-7-10-24-20(18(15)11-16)27-17-3-4-19(25-13-17)21(28)26-12-14-5-8-23-9-6-14/h1-11,13H,12H2,(H,24,27)(H,26,28)
InChIKeyMBFDAGORBLBXGQ-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.35
Rot. Bonds5

About 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 135186660) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID135186660
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC Name5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2nccc3ccc(Cl)cc23)cn1
InChIInChI=1S/C21H16ClN5O/c22-16-2-1-15-7-10-24-20(18(15)11-16)27-17-3-4-19(25-13-17)21(28)26-12-14-5-8-23-9-6-14/h1-11,13H,12H2,(H,24,27)(H,26,28)
InChIKeyMBFDAGORBLBXGQ-UHFFFAOYSA-N
XLogP4.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 135186889
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191596
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283625
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 135186660) is 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1ccc(Nc2nccc3ccc(Cl)cc23)cn1.
What is the InChIKey of 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MBFDAGORBLBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c22-16-2-1-15-7-10-24-20(18(15)11-16)27-17-3-4-19(25-13-17)21(28)26-12-14-5-8-23-9-6-14/h1-11,13H,12H2,(H,24,27)(H,26,28).
What are the key properties of 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 389.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 135186660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).