N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride

C12H18ClN3O2 — CID 119723783

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCn1cc(NC(=O)C2CCNC2)ccc1=O.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-15-8-10(3-4-11(15)16)14-12(17)9-5-6-13-7-9;/h3-4,8-9,13H,2,5-7H2,1H3,(H,14,17);1H
InChIKeyNTAFUFDMXSZXFC-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.84
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride

N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119723783) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119723783
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCn1cc(NC(=O)C2CCNC2)ccc1=O.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-15-8-10(3-4-11(15)16)14-12(17)9-5-6-13-7-9;/h3-4,8-9,13H,2,5-7H2,1H3,(H,14,17);1H
InChIKeyNTAFUFDMXSZXFC-UHFFFAOYSA-N
XLogP0.84
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626884
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 146323423
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide
CID 60552518
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944538
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119723783) is N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride is CCn1cc(NC(=O)C2CCNC2)ccc1=O.Cl.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NTAFUFDMXSZXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-2-15-8-10(3-4-11(15)16)14-12(17)9-5-6-13-7-9;/h3-4,8-9,13H,2,5-7H2,1H3,(H,14,17);1H.
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119723783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).