3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

C17H19N3O2 — CID 18106925

IUPAC3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccnc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19N3O2/c1-11-6-7-18-15(8-11)20-16(21)10-19-17(22)14-5-4-12(2)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyNCGXTLONWCKXPY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.38
Rot. Bonds4

About 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 18106925) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID18106925
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccnc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19N3O2/c1-11-6-7-18-15(8-11)20-16(21)10-19-17(22)14-5-4-12(2)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyNCGXTLONWCKXPY-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 75523152
N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18106915
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 18106925) is 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is Cc1ccnc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is NCGXTLONWCKXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-6-7-18-15(8-11)20-16(21)10-19-17(22)14-5-4-12(2)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18106925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).