5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide

C12H16N4O3 — CID 133327481

IUPAC5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
SMILESCCCC1CC1Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C12H16N4O3/c1-2-3-7-4-10(7)15-12-9(11(13)17)5-8(6-14-12)16(18)19/h5-7,10H,2-4H2,1H3,(H2,13,17)(H,14,15)
InChIKeyZLSVJALWPFJPLS-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.69
Rot. Bonds6

About 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide

5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide (PubChem CID 133327481) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
PubChem CID133327481
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
SMILESCCCC1CC1Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C12H16N4O3/c1-2-3-7-4-10(7)15-12-9(11(13)17)5-8(6-14-12)16(18)19/h5-7,10H,2-4H2,1H3,(H2,13,17)(H,14,15)
InChIKeyZLSVJALWPFJPLS-UHFFFAOYSA-N
XLogP1.69
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
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

2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
CID 104589720
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine
CID 103768273
2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 71910094
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-(1-aminohexan-2-ylamino)-5-nitropyridine-3-carboxamide
CID 80700351
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide (CID 133327481) is 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide is CCCC1CC1Nc1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide?
The InChIKey is ZLSVJALWPFJPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-2-3-7-4-10(7)15-12-9(11(13)17)5-8(6-14-12)16(18)19/h5-7,10H,2-4H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide?
5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133327481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).