6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one

C19H20N4O3 — CID 87562349

IUPAC6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one
SMILESCc1ccc([N+](=O)[O-])c(N2CCC(=C/C=C/c3cccc(=O)[nH]3)CC2)n1
InChIInChI=1S/C19H20N4O3/c1-14-8-9-17(23(25)26)19(20-14)22-12-10-15(11-13-22)4-2-5-16-6-3-7-18(24)21-16/h2-9H,10-13H2,1H3,(H,21,24)/b5-2+
InChIKeyDYZAEDKNPFNATN-GORDUTHDSA-N
MW352.39 g/mol
LogP3.23
Rot. Bonds4

About 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one

6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one (PubChem CID 87562349) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one
PubChem CID87562349
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one
SMILESCc1ccc([N+](=O)[O-])c(N2CCC(=C/C=C/c3cccc(=O)[nH]3)CC2)n1
InChIInChI=1S/C19H20N4O3/c1-14-8-9-17(23(25)26)19(20-14)22-12-10-15(11-13-22)4-2-5-16-6-3-7-18(24)21-16/h2-9H,10-13H2,1H3,(H,21,24)/b5-2+
InChIKeyDYZAEDKNPFNATN-GORDUTHDSA-N
XLogP3.23
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one (CID 87562349) is 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one is Cc1ccc([N+](=O)[O-])c(N2CCC(=C/C=C/c3cccc(=O)[nH]3)CC2)n1.
What is the InChIKey of 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one?
The InChIKey is DYZAEDKNPFNATN-GORDUTHDSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-8-9-17(23(25)26)19(20-14)22-12-10-15(11-13-22)4-2-5-16-6-3-7-18(24)21-16/h2-9H,10-13H2,1H3,(H,21,24)/b5-2+.
What are the key properties of 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one?
6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one has a molecular weight of 352.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one is sourced from PubChem (CID 87562349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).