5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C24H20N4O2 — CID 109191291

IUPAC5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2ccccc2Oc2ccccc2)cn1
InChIInChI=1S/C24H20N4O2/c29-24(27-16-18-7-6-14-25-15-18)22-13-12-19(17-26-22)28-21-10-4-5-11-23(21)30-20-8-2-1-3-9-20/h1-15,17,28H,16H2,(H,27,29)
InChIKeyMTDMYAVOJYMANS-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.94
Rot. Bonds7

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

5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191291) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109191291
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2ccccc2Oc2ccccc2)cn1
InChIInChI=1S/C24H20N4O2/c29-24(27-16-18-7-6-14-25-15-18)22-13-12-19(17-26-22)28-21-10-4-5-11-23(21)30-20-8-2-1-3-9-20/h1-15,17,28H,16H2,(H,27,29)
InChIKeyMTDMYAVOJYMANS-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

5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171882
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109191291) is 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1ccc(Nc2ccccc2Oc2ccccc2)cn1.
What is the InChIKey of 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MTDMYAVOJYMANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-24(27-16-18-7-6-14-25-15-18)22-13-12-19(17-26-22)28-21-10-4-5-11-23(21)30-20-8-2-1-3-9-20/h1-15,17,28H,16H2,(H,27,29).
What are the key properties of 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-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 5-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).