5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C22H19N5O2 — CID 135186889

IUPAC5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc2ccnc(Nc3ccc(C(=O)NCc4cccnc4)nc3)c2c1
InChIInChI=1S/C22H19N5O2/c1-29-18-6-4-16-8-10-24-21(19(16)11-18)27-17-5-7-20(25-14-17)22(28)26-13-15-3-2-9-23-12-15/h2-12,14H,13H2,1H3,(H,24,27)(H,26,28)
InChIKeyMKSIOSKQIQXIFT-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.71
Rot. Bonds6

About 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 135186889) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID135186889
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc2ccnc(Nc3ccc(C(=O)NCc4cccnc4)nc3)c2c1
InChIInChI=1S/C22H19N5O2/c1-29-18-6-4-16-8-10-24-21(19(16)11-18)27-17-5-7-20(25-14-17)22(28)26-13-15-3-2-9-23-12-15/h2-12,14H,13H2,1H3,(H,24,27)(H,26,28)
InChIKeyMKSIOSKQIQXIFT-UHFFFAOYSA-N
XLogP3.71
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 135186660
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191291
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 135186889) is 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is COc1ccc2ccnc(Nc3ccc(C(=O)NCc4cccnc4)nc3)c2c1.
What is the InChIKey of 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MKSIOSKQIQXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-18-6-4-16-8-10-24-21(19(16)11-18)27-17-5-7-20(25-14-17)22(28)26-13-15-3-2-9-23-12-15/h2-12,14H,13H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 135186889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).