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

C18H20N4O3 — CID 35031896

IUPACN-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H20N4O3/c1-13-5-4-10-19-17(13)20-18(23)14-8-11-21(12-9-14)15-6-2-3-7-16(15)22(24)25/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,20,23)
InChIKeyAFWFSTVNHIYVFA-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.15
Rot. Bonds4

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

N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 35031896) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID35031896
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H20N4O3/c1-13-5-4-10-19-17(13)20-18(23)14-8-11-21(12-9-14)15-6-2-3-7-16(15)22(24)25/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,20,23)
InChIKeyAFWFSTVNHIYVFA-UHFFFAOYSA-N
XLogP3.15
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.15
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-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55829453
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55763880
1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
CID 55367657
1-(2-nitrophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 38961699
methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate
CID 9160892
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 37487616
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 46668940

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 35031896) is N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is Cc1cccnc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is AFWFSTVNHIYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-5-4-10-19-17(13)20-18(23)14-8-11-21(12-9-14)15-6-2-3-7-16(15)22(24)25/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,20,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 35031896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).