N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide

C21H21N3O — CID 109209680

IUPACN-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O/c1-15-10-16(2)12-19(11-15)24-18-8-9-22-20(13-18)21(25)23-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIKDCHXZNQKJPBG-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.37
Rot. Bonds5

About N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide

N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109209680) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
PubChem CID109209680
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O/c1-15-10-16(2)12-19(11-15)24-18-8-9-22-20(13-18)21(25)23-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIKDCHXZNQKJPBG-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212720
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210217
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214408
2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid
CID 122060653
4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213355
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide (CID 109209680) is N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide is Cc1cc(C)cc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is IKDCHXZNQKJPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-10-16(2)12-19(11-15)24-18-8-9-22-20(13-18)21(25)23-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109209680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).