3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide

C19H20N4O3 — CID 76869597

IUPAC3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C19H20N4O3/c24-19(10-7-15-5-4-6-16(13-15)23(25)26)21-18-9-8-17(14-20-18)22-11-2-1-3-12-22/h4-10,13-14H,1-3,11-12H2,(H,20,21,24)
InChIKeyRINYQNNLEMPCKL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.63
Rot. Bonds5

About 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide

3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide (PubChem CID 76869597) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide
PubChem CID76869597
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C19H20N4O3/c24-19(10-7-15-5-4-6-16(13-15)23(25)26)21-18-9-8-17(14-20-18)22-11-2-1-3-12-22/h4-10,13-14H,1-3,11-12H2,(H,20,21,24)
InChIKeyRINYQNNLEMPCKL-UHFFFAOYSA-N
XLogP3.63
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3489821
N-(5-iodo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 76873790
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
CID 4992923
(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide
CID 60576852
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3962327
(E)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 55835014
N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide
CID 72687254
(E)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 27898811
(E)-3-(3-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 52662791
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 5041897
(E)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 18082525
(E)-3-(3-nitrophenyl)-N-piperidin-1-ylsulfonylprop-2-enamide
CID 60562890

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide (CID 76869597) is 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide?
The InChIKey is RINYQNNLEMPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(10-7-15-5-4-6-16(13-15)23(25)26)21-18-9-8-17(14-20-18)22-11-2-1-3-12-22/h4-10,13-14H,1-3,11-12H2,(H,20,21,24).
What are the key properties of 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide?
3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 76869597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).