3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C17H18F2N2O2 — CID 87041591

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H18F2N2O2/c1-12-3-2-4-14(21-12)11-20-16(22)10-7-13-5-8-15(9-6-13)23-17(18)19/h2-6,8-9,17H,7,10-11H2,1H3,(H,20,22)
InChIKeyAVOFAOQGLDNTDE-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.24
Rot. Bonds7

About 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide

3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 87041591) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID87041591
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H18F2N2O2/c1-12-3-2-4-14(21-12)11-20-16(22)10-7-13-5-8-15(9-6-13)23-17(18)19/h2-6,8-9,17H,7,10-11H2,1H3,(H,20,22)
InChIKeyAVOFAOQGLDNTDE-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873763
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
Pyridine amide, 29
CID 44237004
N-(2-fluoroethyl)-3-(2-methoxyquinolin-8-yl)propanamide
CID 137636173
4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
CID 2568535
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-(4-methoxyphenyl)butanamide
CID 11453381
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide
CID 11683709

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 87041591) is 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide is Cc1cccc(CNC(=O)CCc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is AVOFAOQGLDNTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-12-3-2-4-14(21-12)11-20-16(22)10-7-13-5-8-15(9-6-13)23-17(18)19/h2-6,8-9,17H,7,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 320.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 87041591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).