N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide

C14H13N3O3 — CID 110294457

IUPACN-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C14H13N3O3/c18-14(12-2-1-8-15-10-12)16-9-7-11-3-5-13(6-4-11)17(19)20/h1-6,8,10H,7,9H2,(H,16,18)
InChIKeyXFBZRGZRLROIHR-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide

N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 110294457) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
PubChem CID110294457
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C14H13N3O3/c18-14(12-2-1-8-15-10-12)16-9-7-11-3-5-13(6-4-11)17(19)20/h1-6,8,10H,7,9H2,(H,16,18)
InChIKeyXFBZRGZRLROIHR-UHFFFAOYSA-N
XLogP1.96
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155565992
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
2-(pyridine-3-carbonylamino)ethyl nitrate;hydrochloride
CID 3017561
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
N-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 2918860
N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110789365
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide (CID 110294457) is N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is XFBZRGZRLROIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-14(12-2-1-8-15-10-12)16-9-7-11-3-5-13(6-4-11)17(19)20/h1-6,8,10H,7,9H2,(H,16,18).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide?
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110294457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).