2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile

C14H19N5O2 — CID 82793859

IUPAC2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile
SMILESCCN(c1nccc(C#N)c1[N+](=O)[O-])C1CCC(N)CC1
InChIInChI=1S/C14H19N5O2/c1-2-18(12-5-3-11(16)4-6-12)14-13(19(20)21)10(9-15)7-8-17-14/h7-8,11-12H,2-6,16H2,1H3
InChIKeyLJOVXUIEKYGORY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.96
Rot. Bonds4

About 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile

2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile (PubChem CID 82793859) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile
PubChem CID82793859
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile
SMILESCCN(c1nccc(C#N)c1[N+](=O)[O-])C1CCC(N)CC1
InChIInChI=1S/C14H19N5O2/c1-2-18(12-5-3-11(16)4-6-12)14-13(19(20)21)10(9-15)7-8-17-14/h7-8,11-12H,2-6,16H2,1H3
InChIKeyLJOVXUIEKYGORY-UHFFFAOYSA-N
XLogP1.96
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-N-phenylpyridin-2-amine
CID 81268
2-Amino-4-methyl-3-nitropyridine
CID 243166
2-Amino-4-methyl-5-nitropyridine
CID 243165
2-Benzylamino-5-nitropyridine
CID 261542
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
N,N-dimethyl-N'-(5-nitropyridin-2-yl)benzene-1,4-diamine
CID 3146301
1-(5-Nitropyridin-2-yl)-4-phenylpiperazine
CID 2848979
1-(3-Nitropyridin-2-yl)piperidine-4-carbonitrile
CID 2806149
2-(2-Aminoethylamino)-5-nitropyridine
CID 122425
2-Cyclohexylamino-5-nitropyridine
CID 261538
1-(5-Nitropyridin-2-yl)piperazine
CID 2928799
6-[3-[1-(6-Methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-ynyl]pyridine-3-carbonitrile
CID 122183738

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile (CID 82793859) is 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile is CCN(c1nccc(C#N)c1[N+](=O)[O-])C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile?
The InChIKey is LJOVXUIEKYGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-18(12-5-3-11(16)4-6-12)14-13(19(20)21)10(9-15)7-8-17-14/h7-8,11-12H,2-6,16H2,1H3.
What are the key properties of 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile?
2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-ethylamino]-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 82793859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).