N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide

C17H17N3O3 — CID 2908322

IUPACN-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
SMILESO=C(NC(=Cc1cccnc1)C(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C17H17N3O3/c21-16(15-6-4-10-23-15)19-14(11-13-5-3-7-18-12-13)17(22)20-8-1-2-9-20/h3-7,10-12H,1-2,8-9H2,(H,19,21)
InChIKeyIPVPOPVNBFVXMF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.07
Rot. Bonds4

About N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide

N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide (PubChem CID 2908322) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
PubChem CID2908322
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
SMILESO=C(NC(=Cc1cccnc1)C(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C17H17N3O3/c21-16(15-6-4-10-23-15)19-14(11-13-5-3-7-18-12-13)17(22)20-8-1-2-9-20/h3-7,10-12H,1-2,8-9H2,(H,19,21)
InChIKeyIPVPOPVNBFVXMF-UHFFFAOYSA-N
XLogP2.07
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 818818
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 892483
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 24789734
N-[(E)-3-(azepan-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1096231
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 5448139
2-chloro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide
CID 3850864
4-methyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22301441
2-fluoro-N-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl)benzamide
CID 3258249
N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2839706
N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
CID 2941949
N-[(E)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 7303980
N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide (CID 2908322) is N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide is O=C(NC(=Cc1cccnc1)C(=O)N1CCCC1)c1ccco1.
What is the InChIKey of N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide?
The InChIKey is IPVPOPVNBFVXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(15-6-4-10-23-15)19-14(11-13-5-3-7-18-12-13)17(22)20-8-1-2-9-20/h3-7,10-12H,1-2,8-9H2,(H,19,21).
What are the key properties of N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide?
N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2908322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).