N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine

C19H20N2 — CID 135062948

IUPACN-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine
SMILESC(#Cc1ncccc1NC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H20N2/c1-3-8-16(9-4-1)13-14-18-19(12-7-15-20-18)21-17-10-5-2-6-11-17/h1,3-4,7-9,12,15,17,21H,2,5-6,10-11H2
InChIKeyGGNYXBHBJCLJCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.23
Rot. Bonds2

About N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine

N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine (PubChem CID 135062948) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine
PubChem CID135062948
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine
SMILESC(#Cc1ncccc1NC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H20N2/c1-3-8-16(9-4-1)13-14-18-19(12-7-15-20-18)21-17-10-5-2-6-11-17/h1,3-4,7-9,12,15,17,21H,2,5-6,10-11H2
InChIKeyGGNYXBHBJCLJCH-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine
CID 135063161
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
2-benzylsulfanyl-N-cyclohexylaniline
CID 67941937
N-cyclohexyl-2-cyclooctylaniline
CID 155278581
2-(cyclopentylamino)benzonitrile
CID 10535560
3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 130167064
3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
CID 115306698
2-[2-[4-(cyclohexylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethynyl]pyridine-3-carbonitrile
CID 156786298
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
2-[2-(cyclohexylamino)phenyl]ethenone
CID 176534727
2-chloro-N-(thian-4-yl)pyridin-3-amine
CID 43690107

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine?
The IUPAC name of N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine (CID 135062948) is N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine is C(#Cc1ncccc1NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine?
The InChIKey is GGNYXBHBJCLJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-8-16(9-4-1)13-14-18-19(12-7-15-20-18)21-17-10-5-2-6-11-17/h1,3-4,7-9,12,15,17,21H,2,5-6,10-11H2.
What are the key properties of N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine?
N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-phenylethynyl)pyridin-3-amine is sourced from PubChem (CID 135062948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).