4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide

C21H21N3O — CID 109219346

IUPAC4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCc1cccc(Nc2ccnc(C(=O)N(C)c3ccccc3)c2)c1C
InChIInChI=1S/C21H21N3O/c1-15-8-7-11-19(16(15)2)23-17-12-13-22-20(14-17)21(25)24(3)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,22,23)
InChIKeyIRLRDINXYPSYAX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.72
Rot. Bonds4

About 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide

4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 109219346) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID109219346
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCc1cccc(Nc2ccnc(C(=O)N(C)c3ccccc3)c2)c1C
InChIInChI=1S/C21H21N3O/c1-15-8-7-11-19(16(15)2)23-17-12-13-22-20(14-17)21(25)24(3)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,22,23)
InChIKeyIRLRDINXYPSYAX-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219411
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081
4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219361
N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
CID 109217517
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109220123
[4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109215610
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
6-N-methyl-2-N-(2-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100039

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide (CID 109219346) is 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide is Cc1cccc(Nc2ccnc(C(=O)N(C)c3ccccc3)c2)c1C.
What is the InChIKey of 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is IRLRDINXYPSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-8-7-11-19(16(15)2)23-17-12-13-22-20(14-17)21(25)24(3)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,22,23).
What are the key properties of 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109219346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).