N-butanoyl-5-nitropyridine-2-carboxamide

C10H11N3O4 — CID 21405268

IUPACN-butanoyl-5-nitropyridine-2-carboxamide
SMILESCCCC(=O)NC(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11N3O4/c1-2-3-9(14)12-10(15)8-5-4-7(6-11-8)13(16)17/h4-6H,2-3H2,1H3,(H,12,14,15)
InChIKeyCFIRXKGZESYUSI-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.05
Rot. Bonds4

About N-butanoyl-5-nitropyridine-2-carboxamide

N-butanoyl-5-nitropyridine-2-carboxamide (PubChem CID 21405268) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-butanoyl-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound NameN-butanoyl-5-nitropyridine-2-carboxamide
PubChem CID21405268
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN-butanoyl-5-nitropyridine-2-carboxamide
SMILESCCCC(=O)NC(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11N3O4/c1-2-3-9(14)12-10(15)8-5-4-7(6-11-8)13(16)17/h4-6H,2-3H2,1H3,(H,12,14,15)
InChIKeyCFIRXKGZESYUSI-UHFFFAOYSA-N
XLogP1.05
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.05
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

5-nitro-N-propylpyridine-2-carboxamide
CID 21405282
N-benzoyl-5-nitropyridine-2-carboxamide
CID 21405378
N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide
CID 99798364
5-nitro-N-pent-4-ynylpyridine-2-carboxamide
CID 162753441
N-[(4-nitrophenyl)carbamothioyl]butanamide
CID 3383116
4-nitro-N-octadecanoylbenzamide
CID 102032095
2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
CID 21405400
N-hydrazinylidene-5-nitropyridine-2-carboxamide
CID 126667337
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157044268
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058

Frequently Asked Questions

What is the IUPAC name of N-butanoyl-5-nitropyridine-2-carboxamide?
The IUPAC name of N-butanoyl-5-nitropyridine-2-carboxamide (CID 21405268) is N-butanoyl-5-nitropyridine-2-carboxamide.
What is the SMILES notation for N-butanoyl-5-nitropyridine-2-carboxamide?
The canonical SMILES for N-butanoyl-5-nitropyridine-2-carboxamide is CCCC(=O)NC(=O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-butanoyl-5-nitropyridine-2-carboxamide?
The InChIKey is CFIRXKGZESYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-3-9(14)12-10(15)8-5-4-7(6-11-8)13(16)17/h4-6H,2-3H2,1H3,(H,12,14,15).
What are the key properties of N-butanoyl-5-nitropyridine-2-carboxamide?
N-butanoyl-5-nitropyridine-2-carboxamide has a molecular weight of 237.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanoyl-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 21405268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).