N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide

C21H21N3O — CID 23633002

IUPACN-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H21N3O/c1-14-7-4-10-17(13-14)23-20-18(11-6-12-22-20)21(25)24-19-15(2)8-5-9-16(19)3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKIZINAKNQJSZLP-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide

N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide (PubChem CID 23633002) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide
PubChem CID23633002
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H21N3O/c1-14-7-4-10-17(13-14)23-20-18(11-6-12-22-20)21(25)24-19-15(2)8-5-9-16(19)3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKIZINAKNQJSZLP-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23633012
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide (CID 23633002) is N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide is Cc1cccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide?
The InChIKey is KIZINAKNQJSZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-7-4-10-17(13-14)23-20-18(11-6-12-22-20)21(25)24-19-15(2)8-5-9-16(19)3/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23633002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).