(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone

C19H28N2O — CID 56892222

IUPAC(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CC(c3cccnc3)C2)CC1
InChIInChI=1S/C19H28N2O/c1-2-3-5-15-7-9-16(10-8-15)19(22)21-13-18(14-21)17-6-4-11-20-12-17/h4,6,11-12,15-16,18H,2-3,5,7-10,13-14H2,1H3
InChIKeyJVJCQEXSEYWEFW-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.00
Rot. Bonds5

About (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone

(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 56892222) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID56892222
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CC(c3cccnc3)C2)CC1
InChIInChI=1S/C19H28N2O/c1-2-3-5-15-7-9-16(10-8-15)19(22)21-13-18(14-21)17-6-4-11-20-12-17/h4,6,11-12,15-16,18H,2-3,5,7-10,13-14H2,1H3
InChIKeyJVJCQEXSEYWEFW-UHFFFAOYSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)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

N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 60591003
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
2-[4-(3-pyridin-3-ylazetidine-1-carbonyl)piperidin-1-yl]acetamide
CID 70762081
1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
CID 118147206
tert-butyl (Z)-2-[[4-(4-pyridin-3-ylpiperidine-1-carbonyl)cyclohexyl]methyl]but-2-enoate
CID 142446255
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240
(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636070
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56916054
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 56892222) is (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone is CCCCC1CCC(C(=O)N2CC(c3cccnc3)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is JVJCQEXSEYWEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-3-5-15-7-9-16(10-8-15)19(22)21-13-18(14-21)17-6-4-11-20-12-17/h4,6,11-12,15-16,18H,2-3,5,7-10,13-14H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 300.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 56892222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).