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

C24H20N4O2 — CID 109171700

IUPAC2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C24H20N4O2/c29-24(27-17-19-8-6-7-14-25-19)18-13-15-26-23(16-18)28-21-11-4-5-12-22(21)30-20-9-2-1-3-10-20/h1-16H,17H2,(H,26,28)(H,27,29)
InChIKeyOCDHUGHYGXIKCU-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.94
Rot. Bonds7

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

2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 109171700) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID109171700
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C24H20N4O2/c29-24(27-17-19-8-6-7-14-25-19)18-13-15-26-23(16-18)28-21-11-4-5-12-22(21)30-20-9-2-1-3-10-20/h1-16H,17H2,(H,26,28)(H,27,29)
InChIKeyOCDHUGHYGXIKCU-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-3-ylmethyl)pyridine-4-carboxamide
CID 109171882
2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171655
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171664
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
2-N,2-N-diethyl-4-N-(2-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088996

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (CID 109171700) is 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ccccn1)c1ccnc(Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is OCDHUGHYGXIKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-24(27-17-19-8-6-7-14-25-19)18-13-15-26-23(16-18)28-21-11-4-5-12-22(21)30-20-9-2-1-3-10-20/h1-16H,17H2,(H,26,28)(H,27,29).
What are the key properties of 2-(2-phenoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
2-(2-phenoxyanilino)-N-(pyridin-2-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-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).