4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide

C12H16N4O3 — CID 112690479

IUPAC4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N4O3/c13-11(17)8-3-5-9(6-4-8)15-10-2-1-7-14-12(10)16(18)19/h1-2,7-9,15H,3-6H2,(H2,13,17)
InChIKeyWITATCSINJUPTQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.45
Rot. Bonds4

About 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide

4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide (PubChem CID 112690479) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide
PubChem CID112690479
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N4O3/c13-11(17)8-3-5-9(6-4-8)15-10-2-1-7-14-12(10)16(18)19/h1-2,7-9,15H,3-6H2,(H2,13,17)
InChIKeyWITATCSINJUPTQ-UHFFFAOYSA-N
XLogP1.45
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.45
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

N-(3,5-dimethylcyclohexyl)-2-nitropyridin-3-amine
CID 112692570
N-(2-nitro-3-pyridinyl)azepan-3-amine
CID 113424918
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726
4-(2-cyano-4-nitroanilino)cyclohexane-1-carboxamide
CID 60725680
4-(4-formyl-2-nitroanilino)cyclohexane-1-carboxamide
CID 83103936
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-methyl-2-nitropyridin-3-amine
CID 555983
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide (CID 112690479) is 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(Nc2cccnc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide?
The InChIKey is WITATCSINJUPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-11(17)8-3-5-9(6-4-8)15-10-2-1-7-14-12(10)16(18)19/h1-2,7-9,15H,3-6H2,(H2,13,17).
What are the key properties of 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide?
4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 112690479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).