6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109161100

IUPAC6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C23H25N3O2/c1-17(2)26(16-18-9-5-4-6-10-18)22-14-13-19(15-24-22)23(27)25-20-11-7-8-12-21(20)28-3/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyKCAWJPVPUSZQLA-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.76
Rot. Bonds7

About 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide

6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109161100) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109161100
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C23H25N3O2/c1-17(2)26(16-18-9-5-4-6-10-18)22-14-13-19(15-24-22)23(27)25-20-11-7-8-12-21(20)28-3/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyKCAWJPVPUSZQLA-UHFFFAOYSA-N
XLogP4.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846437
6-(dipropylamino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161816
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109195480
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 109161100) is 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)nc1.
What is the InChIKey of 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is KCAWJPVPUSZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)26(16-18-9-5-4-6-10-18)22-14-13-19(15-24-22)23(27)25-20-11-7-8-12-21(20)28-3/h4-15,17H,16H2,1-3H3,(H,25,27).
What are the key properties of 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109161100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).