N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide

C21H21N3O — CID 109242288

IUPACN-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(N(C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O/c1-15-9-16(2)11-18(10-15)23-21(25)17-12-20(14-22-13-17)24(3)19-7-5-4-6-8-19/h4-14H,1-3H3,(H,23,25)
InChIKeyRFGDNKKLVMPHQP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.72
Rot. Bonds4

About N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide

N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 109242288) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
PubChem CID109242288
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(N(C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O/c1-15-9-16(2)11-18(10-15)23-21(25)17-12-20(14-22-13-17)24(3)19-7-5-4-6-8-19/h4-14H,1-3H3,(H,23,25)
InChIKeyRFGDNKKLVMPHQP-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

5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109233203
N-(4-methoxyphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242318
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197652
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242360
5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105456
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235813
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide (CID 109242288) is N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(N(C)c3ccccc3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is RFGDNKKLVMPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-9-16(2)11-18(10-15)23-21(25)17-12-20(14-22-13-17)24(3)19-7-5-4-6-8-19/h4-14H,1-3H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-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 N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).