(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone

C16H17NO2 — CID 105097019

IUPAC(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cccnc2C)cc1
InChIInChI=1S/C16H17NO2/c1-3-11-19-14-8-6-13(7-9-14)16(18)15-5-4-10-17-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyBRGSHNPTDBVPOV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.41
Rot. Bonds5

About (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone

(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone (PubChem CID 105097019) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
PubChem CID105097019
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cccnc2C)cc1
InChIInChI=1S/C16H17NO2/c1-3-11-19-14-8-6-13(7-9-14)16(18)15-5-4-10-17-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyBRGSHNPTDBVPOV-UHFFFAOYSA-N
XLogP3.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone (CID 105097019) is (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cccnc2C)cc1.
What is the InChIKey of (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone?
The InChIKey is BRGSHNPTDBVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-11-19-14-8-6-13(7-9-14)16(18)15-5-4-10-17-12(15)2/h4-10H,3,11H2,1-2H3.
What are the key properties of (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone?
(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 105097019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).