N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide

C19H20N4O4 — CID 55815492

IUPACN-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1
InChIInChI=1S/C19H20N4O4/c1-13-6-4-10-17(20-13)21-18(24)14-7-5-11-22(12-14)19(25)15-8-2-3-9-16(15)23(26)27/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21,24)
InChIKeySGUPMDCRYXWNJD-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.79
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide

N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide (PubChem CID 55815492) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
PubChem CID55815492
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1
InChIInChI=1S/C19H20N4O4/c1-13-6-4-10-17(20-13)21-18(24)14-7-5-11-22(12-14)19(25)15-8-2-3-9-16(15)23(26)27/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21,24)
InChIKeySGUPMDCRYXWNJD-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

1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
N-(6-methyl-2-pyridinyl)-1-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperidine-3-carboxamide
CID 55813978
1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 47049140
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133270010
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
N-hexyl-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 60608535
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
CID 47067553

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide (CID 55815492) is N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide?
The InChIKey is SGUPMDCRYXWNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-6-4-10-17(20-13)21-18(24)14-7-5-11-22(12-14)19(25)15-8-2-3-9-16(15)23(26)27/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-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 N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55815492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).