N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide

C13H15N3O2 — CID 87634311

IUPACN-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide
SMILESO=CN/C(=C\c1ccncc1)C(=O)N1CCCC1
InChIInChI=1S/C13H15N3O2/c17-10-15-12(9-11-3-5-14-6-4-11)13(18)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2,(H,15,17)/b12-9-
InChIKeyGXPOBBZDEFDXQV-XFXZXTDPSA-N
MW245.28 g/mol
LogP0.79
Rot. Bonds4

About N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide

N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide (PubChem CID 87634311) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide
PubChem CID87634311
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide
SMILESO=CN/C(=C\c1ccncc1)C(=O)N1CCCC1
InChIInChI=1S/C13H15N3O2/c17-10-15-12(9-11-3-5-14-6-4-11)13(18)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2,(H,15,17)/b12-9-
InChIKeyGXPOBBZDEFDXQV-XFXZXTDPSA-N
XLogP0.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide
CID 1110718
N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6531421
1-(azepan-1-yl)-2-pyridin-4-ylethane-1,2-dione
CID 101170129
N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
CID 2908322
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
N-[3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 818818
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
N-[1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide
CID 91023383
N-[(E)-4-pyridin-4-ylbut-3-enoyl]piperidine-1-carboxamide
CID 6366740
N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
(E)-2-chloro-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 909634
N-(3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl)thiophene-2-carboxamide
CID 2909276

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide?
The IUPAC name of N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide (CID 87634311) is N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide is O=CN/C(=C\c1ccncc1)C(=O)N1CCCC1.
What is the InChIKey of N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide?
The InChIKey is GXPOBBZDEFDXQV-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-10-15-12(9-11-3-5-14-6-4-11)13(18)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2,(H,15,17)/b12-9-.
What are the key properties of N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide?
N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide has a molecular weight of 245.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide is sourced from PubChem (CID 87634311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).