6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide

C13H19N3O2 — CID 63300842

IUPAC6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(=O)[nH]c1)C1CCNC1
InChIInChI=1S/C13H19N3O2/c1-2-7-16(11-5-6-14-9-11)13(18)10-3-4-12(17)15-8-10/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,15,17)
InChIKeyBZZJEUKXUKAQGA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds4

About 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide

6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide (PubChem CID 63300842) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
PubChem CID63300842
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(=O)[nH]c1)C1CCNC1
InChIInChI=1S/C13H19N3O2/c1-2-7-16(11-5-6-14-9-11)13(18)10-3-4-12(17)15-8-10/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,15,17)
InChIKeyBZZJEUKXUKAQGA-UHFFFAOYSA-N
XLogP0.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 55246260
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
N-(2-amino-2-oxoethyl)-6-oxo-N-piperidin-4-yl-1H-pyridine-3-carboxamide
CID 60800355
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide
CID 103813157

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide (CID 63300842) is 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide is CCCN(C(=O)c1ccc(=O)[nH]c1)C1CCNC1.
What is the InChIKey of 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide?
The InChIKey is BZZJEUKXUKAQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-7-16(11-5-6-14-9-11)13(18)10-3-4-12(17)15-8-10/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,15,17).
What are the key properties of 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide?
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 63300842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).