N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide

C13H18N2O3 — CID 110016347

IUPACN-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NC(CCO)C1CC1
InChIInChI=1S/C13H18N2O3/c1-8-4-6-14-12(17)11(8)13(18)15-10(5-7-16)9-2-3-9/h4,6,9-10,16H,2-3,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyDFOHVFJJWXTWRR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.57
Rot. Bonds5

About N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110016347) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110016347
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NC(CCO)C1CC1
InChIInChI=1S/C13H18N2O3/c1-8-4-6-14-12(17)11(8)13(18)15-10(5-7-16)9-2-3-9/h4,6,9-10,16H,2-3,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyDFOHVFJJWXTWRR-UHFFFAOYSA-N
XLogP0.57
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 110016347) is N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc[nH]c(=O)c1C(=O)NC(CCO)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DFOHVFJJWXTWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-4-6-14-12(17)11(8)13(18)15-10(5-7-16)9-2-3-9/h4,6,9-10,16H,2-3,5,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110016347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).