5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide

C12H16N2O2 — CID 164641680

IUPAC5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
SMILESCC(=O)C[C@H](C)NC(=O)c1cncc(C)c1
InChIInChI=1S/C12H16N2O2/c1-8-4-11(7-13-6-8)12(16)14-9(2)5-10(3)15/h4,6-7,9H,5H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyPXQNEDYOKHBXGE-VIFPVBQESA-N
MW220.27 g/mol
LogP1.49
Rot. Bonds4

About 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide

5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide (PubChem CID 164641680) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
PubChem CID164641680
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
SMILESCC(=O)C[C@H](C)NC(=O)c1cncc(C)c1
InChIInChI=1S/C12H16N2O2/c1-8-4-11(7-13-6-8)12(16)14-9(2)5-10(3)15/h4,6-7,9H,5H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyPXQNEDYOKHBXGE-VIFPVBQESA-N
XLogP1.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937
N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
CID 114390011
3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116566748
N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
3-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116606321
N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
CID 77072497
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
CID 97247851
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
CID 113274774
(2R)-2-[(5-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906391
5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
CID 90941953

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide (CID 164641680) is 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide is CC(=O)C[C@H](C)NC(=O)c1cncc(C)c1.
What is the InChIKey of 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide?
The InChIKey is PXQNEDYOKHBXGE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-4-11(7-13-6-8)12(16)14-9(2)5-10(3)15/h4,6-7,9H,5H2,1-3H3,(H,14,16)/t9-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide?
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 164641680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).