(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone

C16H23NO — CID 115374008

IUPAC(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCc1cncc(C(=O)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H23NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-8-12(3)9-17-10-15/h8-11,13-14H,4-7H2,1-3H3
InChIKeyYVFHZJSBGKXXEV-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.04
Rot. Bonds3

About (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone

(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 115374008) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
PubChem CID115374008
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCc1cncc(C(=O)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H23NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-8-12(3)9-17-10-15/h8-11,13-14H,4-7H2,1-3H3
InChIKeyYVFHZJSBGKXXEV-UHFFFAOYSA-N
XLogP4.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
CID 113297061
(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950409
3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane
CID 176949373
(5-methyl-3-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950411
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
N-(2-amino-1-cyclopropylethyl)-N,5-dimethylpyridine-3-carboxamide
CID 116652008
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 115374663
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
CID 107586193
(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
CID 116587515

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone (CID 115374008) is (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone is Cc1cncc(C(=O)C2CCC(C(C)C)CC2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is YVFHZJSBGKXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-8-12(3)9-17-10-15/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone?
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 115374008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).