2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide

C20H25N3O2 — CID 35028557

IUPAC2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
SMILESCc1ccnc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)11-17(20(25)23-18-12-14(3)9-10-21-18)22-19(24)16-8-6-5-7-15(16)4/h5-10,12-13,17H,11H2,1-4H3,(H,22,24)(H,21,23,25)/t17-/m1/s1
InChIKeyINKABHMJSBHBEQ-QGZVFWFLSA-N
MW339.44 g/mol
LogP3.48
Rot. Bonds6

About 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide

2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide (PubChem CID 35028557) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
PubChem CID35028557
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
SMILESCc1ccnc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)11-17(20(25)23-18-12-14(3)9-10-21-18)22-19(24)16-8-6-5-7-15(16)4/h5-10,12-13,17H,11H2,1-4H3,(H,22,24)(H,21,23,25)/t17-/m1/s1
InChIKeyINKABHMJSBHBEQ-QGZVFWFLSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9332535
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide
CID 138992487
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide (CID 35028557) is 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide is Cc1ccnc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1.
What is the InChIKey of 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is INKABHMJSBHBEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)11-17(20(25)23-18-12-14(3)9-10-21-18)22-19(24)16-8-6-5-7-15(16)4/h5-10,12-13,17H,11H2,1-4H3,(H,22,24)(H,21,23,25)/t17-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide?
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 35028557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).