3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide

C12H16N2O3 — CID 105063550

IUPAC3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccncc1OC
InChIInChI=1S/C12H16N2O3/c1-4-10(15)8(2)14-12(16)9-5-6-13-7-11(9)17-3/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyPDFNHODEVVPUQQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.19
Rot. Bonds5

About 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide

3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide (PubChem CID 105063550) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
PubChem CID105063550
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccncc1OC
InChIInChI=1S/C12H16N2O3/c1-4-10(15)8(2)14-12(16)9-5-6-13-7-11(9)17-3/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyPDFNHODEVVPUQQ-UHFFFAOYSA-N
XLogP1.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 105064609
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
(2S)-2-[(3-methoxypyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 105063312

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide (CID 105063550) is 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide is CCC(=O)C(C)NC(=O)c1ccncc1OC.
What is the InChIKey of 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide?
The InChIKey is PDFNHODEVVPUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-10(15)8(2)14-12(16)9-5-6-13-7-11(9)17-3/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide?
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105063550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).