3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide

C17H19N3O2 — CID 41087849

IUPAC3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)nc1
InChIInChI=1S/C17H19N3O2/c1-11-5-4-6-14(9-11)17(22)19-13(3)16(21)20-15-8-7-12(2)10-18-15/h4-10,13H,1-3H3,(H,19,22)(H,18,20,21)/t13-/m1/s1
InChIKeyHLXKQJWMZSGRJA-CYBMUJFWSA-N
MW297.36 g/mol
LogP2.46
Rot. Bonds4

About 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide

3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 41087849) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID41087849
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)nc1
InChIInChI=1S/C17H19N3O2/c1-11-5-4-6-14(9-11)17(22)19-13(3)16(21)20-15-8-7-12(2)10-18-15/h4-10,13H,1-3H3,(H,19,22)(H,18,20,21)/t13-/m1/s1
InChIKeyHLXKQJWMZSGRJA-CYBMUJFWSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885562
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46747357
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-methyl-N-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]benzamide
CID 9040600
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
CID 118638719

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide (CID 41087849) is 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide is Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)nc1.
What is the InChIKey of 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is HLXKQJWMZSGRJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-5-4-6-14(9-11)17(22)19-13(3)16(21)20-15-8-7-12(2)10-18-15/h4-10,13H,1-3H3,(H,19,22)(H,18,20,21)/t13-/m1/s1.
What are the key properties of 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide?
3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 41087849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).