1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C18H19ClN4O3 — CID 133270010

IUPAC1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n1
InChIInChI=1S/C18H19ClN4O3/c1-12-4-2-6-17(20-12)21-18(24)13-5-3-9-22(11-13)15-8-7-14(19)10-16(15)23(25)26/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,20,21,24)
InChIKeyHKGVBFSKZOISPT-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.81
Rot. Bonds4

About 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 133270010) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID133270010
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n1
InChIInChI=1S/C18H19ClN4O3/c1-12-4-2-6-17(20-12)21-18(24)13-5-3-9-22(11-13)15-8-7-14(19)10-16(15)23(25)26/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,20,21,24)
InChIKeyHKGVBFSKZOISPT-UHFFFAOYSA-N
XLogP3.81
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.81
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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Related Compounds

N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94796058
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47066461
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
N-(6-methyl-2-pyridinyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperidine-3-carboxamide
CID 55813978
[1-(4-chloro-2-nitrophenyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 134051230
N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 87021590
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815918
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 133270010) is 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n1.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is HKGVBFSKZOISPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-12-4-2-6-17(20-12)21-18(24)13-5-3-9-22(11-13)15-8-7-14(19)10-16(15)23(25)26/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,20,21,24).
What are the key properties of 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 133270010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).