2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C24H20N4O2 — CID 109171882

IUPAC2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C24H20N4O2/c29-24(27-17-18-7-6-13-25-16-18)19-12-14-26-23(15-19)28-21-10-4-5-11-22(21)30-20-8-2-1-3-9-20/h1-16H,17H2,(H,26,28)(H,27,29)
InChIKeyJJPQDSZGINOTHA-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.94
Rot. Bonds7

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

2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 109171882) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID109171882
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C24H20N4O2/c29-24(27-17-18-7-6-13-25-16-18)19-12-14-26-23(15-19)28-21-10-4-5-11-22(21)30-20-8-2-1-3-9-20/h1-16H,17H2,(H,26,28)(H,27,29)
InChIKeyJJPQDSZGINOTHA-UHFFFAOYSA-N
XLogP4.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171700
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191291
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
2-N-(2-propan-2-yloxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087376
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171963
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 109171882) is 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cccnc1)c1ccnc(Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is JJPQDSZGINOTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-24(27-17-18-7-6-13-25-16-18)19-12-14-26-23(15-19)28-21-10-4-5-11-22(21)30-20-8-2-1-3-9-20/h1-16H,17H2,(H,26,28)(H,27,29).
What are the key properties of 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).