2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide

C15H22N4O3 — CID 86790471

IUPAC2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
SMILESCC1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1
InChIInChI=1S/C15H22N4O3/c1-10-3-5-11(6-4-10)9-18(2)15(20)13-7-12(19(21)22)8-17-14(13)16/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyHIPALNHQXNSCCZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide

2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide (PubChem CID 86790471) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
PubChem CID86790471
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
SMILESCC1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1
InChIInChI=1S/C15H22N4O3/c1-10-3-5-11(6-4-10)9-18(2)15(20)13-7-12(19(21)22)8-17-14(13)16/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyHIPALNHQXNSCCZ-UHFFFAOYSA-N
XLogP2.47
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.47
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-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
CID 104593364
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
CID 104625598
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 109400050
2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 104589851
2-[cyclopropylmethyl(ethyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114046781
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 104585993
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
(2-amino-5-nitro-3-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 104589545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide (CID 86790471) is 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide is CC1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1.
What is the InChIKey of 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide?
The InChIKey is HIPALNHQXNSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-3-5-11(6-4-10)9-18(2)15(20)13-7-12(19(21)22)8-17-14(13)16/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,17).
What are the key properties of 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide?
2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 86790471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).