5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C24H19N3O2 — CID 46032971

IUPAC5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H19N3O2/c28-24(27-17-21-6-4-5-13-26-21)20-14-19(15-25-16-20)18-9-11-23(12-10-18)29-22-7-2-1-3-8-22/h1-16H,17H2,(H,27,28)
InChIKeyAHTOKRFKMSDSJI-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.87
Rot. Bonds6

About 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 46032971) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID46032971
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H19N3O2/c28-24(27-17-21-6-4-5-13-26-21)20-14-19(15-25-16-20)18-9-11-23(12-10-18)29-22-7-2-1-3-8-22/h1-16H,17H2,(H,27,28)
InChIKeyAHTOKRFKMSDSJI-UHFFFAOYSA-N
XLogP4.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
5-(2,3-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42845828
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 93232609
3-[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76909072
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 46032971) is 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AHTOKRFKMSDSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-24(27-17-21-6-4-5-13-26-21)20-14-19(15-25-16-20)18-9-11-23(12-10-18)29-22-7-2-1-3-8-22/h1-16H,17H2,(H,27,28).
What are the key properties of 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46032971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).