2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide

C14H20N4O3 — CID 104593364

IUPAC2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
SMILESCC(C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1
InChIInChI=1S/C14H20N4O3/c1-9(2)5-6-17(10-3-4-10)14(19)12-7-11(18(20)21)8-16-13(12)15/h7-10H,3-6H2,1-2H3,(H2,15,16)
InChIKeyVHBFZESKRRVKAY-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.22
Rot. Bonds6

About 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide

2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide (PubChem CID 104593364) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
PubChem CID104593364
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
SMILESCC(C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1
InChIInChI=1S/C14H20N4O3/c1-9(2)5-6-17(10-3-4-10)14(19)12-7-11(18(20)21)8-16-13(12)15/h7-10H,3-6H2,1-2H3,(H2,15,16)
InChIKeyVHBFZESKRRVKAY-UHFFFAOYSA-N
XLogP2.22
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.22
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

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 60732997
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
3-amino-N-cyclopropyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 115548879
2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
CID 86790471
4-amino-N-cyclopropyl-6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 81239834
2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
CID 104625598
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 104585993
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide (CID 104593364) is 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide is CC(C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide?
The InChIKey is VHBFZESKRRVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)5-6-17(10-3-4-10)14(19)12-7-11(18(20)21)8-16-13(12)15/h7-10H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide?
2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104593364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).