(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone

C13H16N2O — CID 103449954

IUPAC(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
SMILESCc1ccnc(N)c1C(=O)C1=CCCCC1
InChIInChI=1S/C13H16N2O/c1-9-7-8-15-13(14)11(9)12(16)10-5-3-2-4-6-10/h5,7-8H,2-4,6H2,1H3,(H2,14,15)
InChIKeyTUCAZTIMUYHFLT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone

(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone (PubChem CID 103449954) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
PubChem CID103449954
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
SMILESCc1ccnc(N)c1C(=O)C1=CCCCC1
InChIInChI=1S/C13H16N2O/c1-9-7-8-15-13(14)11(9)12(16)10-5-3-2-4-6-10/h5,7-8H,2-4,6H2,1H3,(H2,14,15)
InChIKeyTUCAZTIMUYHFLT-UHFFFAOYSA-N
XLogP2.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
cyclohexen-1-yl(pyrimidin-2-yl)methanone
CID 106651764
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074631
cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62080486
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone
CID 107935421

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone (CID 103449954) is (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone is Cc1ccnc(N)c1C(=O)C1=CCCCC1.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone?
The InChIKey is TUCAZTIMUYHFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-7-8-15-13(14)11(9)12(16)10-5-3-2-4-6-10/h5,7-8H,2-4,6H2,1H3,(H2,14,15).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone?
(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone has a molecular weight of 216.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone is sourced from PubChem (CID 103449954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).