6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide

C21H17N5O — CID 109157913

IUPAC6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C21H17N5O/c27-21(26-18-7-1-5-16-6-3-11-23-20(16)18)17-8-9-19(25-14-17)24-13-15-4-2-10-22-12-15/h1-12,14H,13H2,(H,24,25)(H,26,27)
InChIKeyVSPBSTDQEDCPDQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.89
Rot. Bonds5

About 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide

6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109157913) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109157913
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C21H17N5O/c27-21(26-18-7-1-5-16-6-3-11-23-20(16)18)17-8-9-19(25-14-17)24-13-15-4-2-10-22-12-15/h1-12,14H,13H2,(H,24,25)(H,26,27)
InChIKeyVSPBSTDQEDCPDQ-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

6-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157732
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N-(2-bromo-4-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157908
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109157913) is 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(NCc2cccnc2)nc1.
What is the InChIKey of 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is VSPBSTDQEDCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(26-18-7-1-5-16-6-3-11-23-20(16)18)17-8-9-19(25-14-17)24-13-15-4-2-10-22-12-15/h1-12,14H,13H2,(H,24,25)(H,26,27).
What are the key properties of 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide?
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-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 6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109157913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).