N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide

C25H21N3O2 — CID 109242250

IUPACN-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(Nc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-28(22-8-4-2-5-9-22)25(29)19-16-21(18-26-17-19)27-20-12-14-24(15-13-20)30-23-10-6-3-7-11-23/h2-18,27H,1H3
InChIKeyMXNASKYRYPEZNE-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.89
Rot. Bonds6

About N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide

N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide (PubChem CID 109242250) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide
PubChem CID109242250
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(Nc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-28(22-8-4-2-5-9-22)25(29)19-16-21(18-26-17-19)27-20-12-14-24(15-13-20)30-23-10-6-3-7-11-23/h2-18,27H,1H3
InChIKeyMXNASKYRYPEZNE-UHFFFAOYSA-N
XLogP5.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844
5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109231849
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243578
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109265906
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106321
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
CID 109228985
N-methyl-5-(2-morpholin-4-ylethylamino)-N-phenylpyridine-3-carboxamide
CID 109229643

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide (CID 109242250) is N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide is CN(C(=O)c1cncc(Nc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1.
What is the InChIKey of N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide?
The InChIKey is MXNASKYRYPEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-28(22-8-4-2-5-9-22)25(29)19-16-21(18-26-17-19)27-20-12-14-24(15-13-20)30-23-10-6-3-7-11-23/h2-18,27H,1H3.
What are the key properties of N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide?
N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109242250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).