2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile

C16H18N4O2 — CID 15207366

IUPAC2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H18N4O2/c17-7-13-6-14(20(21)22)8-18-16(13)19-15-11-2-9-1-10(4-11)5-12(15)3-9/h6,8-12,15H,1-5H2,(H,18,19)
InChIKeyRVRJAFUTGFABJF-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile

2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 15207366) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile
PubChem CID15207366
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H18N4O2/c17-7-13-6-14(20(21)22)8-18-16(13)19-15-11-2-9-1-10(4-11)5-12(15)3-9/h6,8-12,15H,1-5H2,(H,18,19)
InChIKeyRVRJAFUTGFABJF-UHFFFAOYSA-N
XLogP3.10
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.10
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-(azepan-4-ylamino)-5-nitropyridine-3-carbonitrile
CID 107173872
2-[(2,2-dimethylcyclohexyl)amino]-5-nitropyridine-3-carbonitrile
CID 79869946
N-(2-methyl-5-nitrophenyl)adamantan-2-amine
CID 43718569
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
4-[(3-cyano-5-nitro-2-pyridinyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249714
5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 60678014
2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile
CID 62198247
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-(2-methylsulfanylethylamino)-5-nitropyridine-3-carbonitrile
CID 60677777

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile (CID 15207366) is 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])cnc1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is RVRJAFUTGFABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-7-13-6-14(20(21)22)8-18-16(13)19-15-11-2-9-1-10(4-11)5-12(15)3-9/h6,8-12,15H,1-5H2,(H,18,19).
What are the key properties of 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile?
2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 15207366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).