2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide

C21H24N4O3 — CID 138992487

IUPAC2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cnc2onc(C)c2c1
InChIInChI=1S/C21H24N4O3/c1-12(2)9-18(24-19(26)16-8-6-5-7-13(16)3)20(27)23-15-10-17-14(4)25-28-21(17)22-11-15/h5-8,10-12,18H,9H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMOUFPHPDXVJTRY-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.62
Rot. Bonds6

About 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide

2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide (PubChem CID 138992487) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide
PubChem CID138992487
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cnc2onc(C)c2c1
InChIInChI=1S/C21H24N4O3/c1-12(2)9-18(24-19(26)16-8-6-5-7-13(16)3)20(27)23-15-10-17-14(4)25-28-21(17)22-11-15/h5-8,10-12,18H,9H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMOUFPHPDXVJTRY-UHFFFAOYSA-N
XLogP3.62
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 43353324
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696
2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429
N-[1-(3-chloro-4-methoxyanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 42990228
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide
CID 9145426
2-methyl-N-[4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-oxopentan-2-yl]benzamide
CID 86825605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 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) is 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cnc2onc(C)c2c1.
What is the InChIKey of 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is MOUFPHPDXVJTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12(2)9-18(24-19(26)16-8-6-5-7-13(16)3)20(27)23-15-10-17-14(4)25-28-21(17)22-11-15/h5-8,10-12,18H,9H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide?
2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 138992487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).