4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine

C16H23NO — CID 156639254

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine
SMILESCCC(c1cc(C2=CCOCC2)ccn1)C(C)C
InChIInChI=1S/C16H23NO/c1-4-15(12(2)3)16-11-14(5-8-17-16)13-6-9-18-10-7-13/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3
InChIKeyRRDPZLOSMZHGCL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.03
Rot. Bonds4

About 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine

4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine (PubChem CID 156639254) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine
PubChem CID156639254
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine
SMILESCCC(c1cc(C2=CCOCC2)ccn1)C(C)C
InChIInChI=1S/C16H23NO/c1-4-15(12(2)3)16-11-14(5-8-17-16)13-6-9-18-10-7-13/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3
InChIKeyRRDPZLOSMZHGCL-UHFFFAOYSA-N
XLogP4.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine
CID 118124536
4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
CID 162435420
5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
CID 166844258
1-[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 166545504
1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
CID 155559468
2-(2-methylpentan-3-yl)-1,3-oxazole
CID 170118865
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane
CID 177229893
1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine;hydrochloride
CID 171059519
2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
CID 139472815
2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine
CID 66330085
6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 177138836
4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 144769523

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine (CID 156639254) is 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine is CCC(c1cc(C2=CCOCC2)ccn1)C(C)C.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine?
The InChIKey is RRDPZLOSMZHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-15(12(2)3)16-11-14(5-8-17-16)13-6-9-18-10-7-13/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3.
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine?
4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine has a molecular weight of 245.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine is sourced from PubChem (CID 156639254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).