N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide

C16H17N3O2 — CID 110705466

IUPACN-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C16H17N3O2/c1-11-5-6-14(12(2)8-11)19-15(20)10-18-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVILQIKLYMIGIMK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide

N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 110705466) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID110705466
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C16H17N3O2/c1-11-5-6-14(12(2)8-11)19-15(20)10-18-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVILQIKLYMIGIMK-UHFFFAOYSA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide
CID 50948802
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide (CID 110705466) is N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2cccnc2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is VILQIKLYMIGIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-5-6-14(12(2)8-11)19-15(20)10-18-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110705466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).