2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone

C14H18N2O — CID 103450475

IUPAC2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
SMILESNc1ccncc1CC(=O)C1=CCCCCC1
InChIInChI=1S/C14H18N2O/c15-13-7-8-16-10-12(13)9-14(17)11-5-3-1-2-4-6-11/h5,7-8,10H,1-4,6,9H2,(H2,15,16)
InChIKeyJGFREENMEPKOTD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.67
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone

2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone (PubChem CID 103450475) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
PubChem CID103450475
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
SMILESNc1ccncc1CC(=O)C1=CCCCCC1
InChIInChI=1S/C14H18N2O/c15-13-7-8-16-10-12(13)9-14(17)11-5-3-1-2-4-6-11/h5,7-8,10H,1-4,6,9H2,(H2,15,16)
InChIKeyJGFREENMEPKOTD-UHFFFAOYSA-N
XLogP2.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
CID 106656072
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
2-(5-bromo-2-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450574
2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone
CID 106655376
2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
CID 64981791
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156
2-(4-tert-butylphenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450386

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone (CID 103450475) is 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone is Nc1ccncc1CC(=O)C1=CCCCCC1.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone?
The InChIKey is JGFREENMEPKOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-13-7-8-16-10-12(13)9-14(17)11-5-3-1-2-4-6-11/h5,7-8,10H,1-4,6,9H2,(H2,15,16).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone?
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone has a molecular weight of 230.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone is sourced from PubChem (CID 103450475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).