3-nitro-N-octanoylpyridine-2-carboxamide

C14H19N3O4 — CID 21405364

IUPAC3-nitro-N-octanoylpyridine-2-carboxamide
SMILESCCCCCCCC(=O)NC(=O)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-3-4-5-6-9-12(18)16-14(19)13-11(17(20)21)8-7-10-15-13/h7-8,10H,2-6,9H2,1H3,(H,16,18,19)
InChIKeyASFVWTSHKUQSHW-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.61
Rot. Bonds8

About 3-nitro-N-octanoylpyridine-2-carboxamide

3-nitro-N-octanoylpyridine-2-carboxamide (PubChem CID 21405364) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-nitro-N-octanoylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-nitro-N-octanoylpyridine-2-carboxamide
PubChem CID21405364
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-nitro-N-octanoylpyridine-2-carboxamide
SMILESCCCCCCCC(=O)NC(=O)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-3-4-5-6-9-12(18)16-14(19)13-11(17(20)21)8-7-10-15-13/h7-8,10H,2-6,9H2,1H3,(H,16,18,19)
InChIKeyASFVWTSHKUQSHW-UHFFFAOYSA-N
XLogP2.61
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 102032095
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
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CID 104740091
2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
CID 21405400
3-methyl-2-nitro-N-pentanoylpyridine-4-carboxamide
CID 54378426
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]octadecanamide
CID 14556722
3-nitro-2-octylsulfanylpyridine
CID 174979790
N-[(2,4-dinitrophenyl)carbamothioyl]tetradecanamide
CID 151836057
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
N-pyrimidin-2-yltetradecanamide
CID 4052382
3-nitro-2-prop-1-en-2-ylpyridine
CID 170548751
N-pyrimidin-2-ylnonanamide
CID 4089811

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-octanoylpyridine-2-carboxamide?
The IUPAC name of 3-nitro-N-octanoylpyridine-2-carboxamide (CID 21405364) is 3-nitro-N-octanoylpyridine-2-carboxamide.
What is the SMILES notation for 3-nitro-N-octanoylpyridine-2-carboxamide?
The canonical SMILES for 3-nitro-N-octanoylpyridine-2-carboxamide is CCCCCCCC(=O)NC(=O)c1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-N-octanoylpyridine-2-carboxamide?
The InChIKey is ASFVWTSHKUQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-3-4-5-6-9-12(18)16-14(19)13-11(17(20)21)8-7-10-15-13/h7-8,10H,2-6,9H2,1H3,(H,16,18,19).
What are the key properties of 3-nitro-N-octanoylpyridine-2-carboxamide?
3-nitro-N-octanoylpyridine-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-octanoylpyridine-2-carboxamide is sourced from PubChem (CID 21405364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).