5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C20H19N3O2 — CID 109231885

IUPAC5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(NCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O2/c1-25-19-9-5-8-17(11-19)23-20(24)16-10-18(14-21-13-16)22-12-15-6-3-2-4-7-15/h2-11,13-14,22H,12H2,1H3,(H,23,24)
InChIKeyIXSQJQLCIRDEAW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.95
Rot. Bonds6

About 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109231885) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109231885
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(NCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O2/c1-25-19-9-5-8-17(11-19)23-20(24)16-10-18(14-21-13-16)22-12-15-6-3-2-4-7-15/h2-11,13-14,22H,12H2,1H3,(H,23,24)
InChIKeyIXSQJQLCIRDEAW-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
N-(3-acetylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236828
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235637
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105232
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 109231882
5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109231885) is 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(NCc3ccccc3)c2)c1.
What is the InChIKey of 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is IXSQJQLCIRDEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-19-9-5-8-17(11-19)23-20(24)16-10-18(14-21-13-16)22-12-15-6-3-2-4-7-15/h2-11,13-14,22H,12H2,1H3,(H,23,24).
What are the key properties of 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).