2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide

C12H16N4O3 — CID 104589720

IUPAC2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
SMILESCCCC1CC1NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C12H16N4O3/c1-2-3-7-4-10(7)15-12(17)9-5-8(16(18)19)6-14-11(9)13/h5-7,10H,2-4H2,1H3,(H2,13,14)(H,15,17)
InChIKeyWNCROJXBYKEEET-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.49
Rot. Bonds5

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

2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide (PubChem CID 104589720) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
PubChem CID104589720
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide
SMILESCCCC1CC1NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C12H16N4O3/c1-2-3-7-4-10(7)15-12(17)9-5-8(16(18)19)6-14-11(9)13/h5-7,10H,2-4H2,1H3,(H2,13,14)(H,15,17)
InChIKeyWNCROJXBYKEEET-UHFFFAOYSA-N
XLogP1.49
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.49
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

5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
CID 133327481
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-nitropyridine-3-carboxamide
CID 104586290
2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 104599368
5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
CID 103713598
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-N-(2-ethylsulfinylethyl)-5-nitropyridine-3-carboxamide
CID 104589277
2-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide (CID 104589720) is 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide is CCCC1CC1NC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide?
The InChIKey is WNCROJXBYKEEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-2-3-7-4-10(7)15-12(17)9-5-8(16(18)19)6-14-11(9)13/h5-7,10H,2-4H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide?
2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(2-propylcyclopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 104589720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).