1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide

C19H20N4O4 — CID 47049140

IUPAC1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)Nc3ccccn3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c1-13-6-4-8-15(17(13)23(26)27)19(25)22-11-5-7-14(12-22)18(24)21-16-9-2-3-10-20-16/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21,24)
InChIKeyCZCAGSJEPUJQBI-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.79
Rot. Bonds4

About 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide

1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 47049140) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID47049140
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)Nc3ccccn3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c1-13-6-4-8-15(17(13)23(26)27)19(25)22-11-5-7-14(12-22)18(24)21-16-9-2-3-10-20-16/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21,24)
InChIKeyCZCAGSJEPUJQBI-UHFFFAOYSA-N
XLogP2.79
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.79
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
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 97069270
[3-(methylamino)pyrrolidin-1-yl]-(3-methyl-2-nitrophenyl)methanone;hydrochloride
CID 119413694
methyl 1-[1-(3-methyl-2-nitrobenzoyl)piperidin-3-yl]triazole-4-carboxylate
CID 75457102

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide (CID 47049140) is 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide is Cc1cccc(C(=O)N2CCCC(C(=O)Nc3ccccn3)C2)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is CZCAGSJEPUJQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-6-4-8-15(17(13)23(26)27)19(25)22-11-5-7-14(12-22)18(24)21-16-9-2-3-10-20-16/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21,24).
What are the key properties of 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide?
1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 47049140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).