2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

C25H24F2N2O3 — CID 126629419

IUPAC2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CC2)c(F)c1F
InChIInChI=1S/C25H24F2N2O3/c1-15-4-7-18(23(27)22(15)26)12-29-25(31)20-11-17(24-19(13-30)3-2-10-28-24)8-9-21(20)32-14-16-5-6-16/h2-4,7-11,16,30H,5-6,12-14H2,1H3,(H,29,31)
InChIKeyVZPSXWAXMMIHKK-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.55
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 126629419) has the molecular formula C25H24F2N2O3 and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID126629419
Molecular FormulaC25H24F2N2O3
Molecular Weight438.47 g/mol
Exact Mass438.18
IUPAC Name2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CC2)c(F)c1F
InChIInChI=1S/C25H24F2N2O3/c1-15-4-7-18(23(27)22(15)26)12-29-25(31)20-11-17(24-19(13-30)3-2-10-28-24)8-9-21(20)32-14-16-5-6-16/h2-4,7-11,16,30H,5-6,12-14H2,1H3,(H,29,31)
InChIKeyVZPSXWAXMMIHKK-UHFFFAOYSA-N
XLogP4.55
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
CP-457677
CID 10407399
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
2-(2''-((N-ethylcyclopropanecarboxamido)methyl)-4''-(5-fluoropyridin-2-yl)-6-methoxybiphenyl-3-yl)acetic acid
CID 53321816
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
N1,N1-Dimethyl-4-[(phenylmethyl)oxy]-N3-3-pyridinyl-1,3-benzenedicarboxamide
CID 69936757
(S)-4-(((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methyl)carbamoyl)benzoic Acid
CID 71144095
2-[(4-fluorophenyl)methoxy]-N-(pyridin-2-ylmethyl)benzamide
CID 24231795
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;hydrochloride
CID 44532595
5-(4-Butoxy-3-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)phenyl)picolinic acid
CID 46879905
5-[4-Butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
CID 52941520

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (CID 126629419) is 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is Cc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CC2)c(F)c1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is VZPSXWAXMMIHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O3/c1-15-4-7-18(23(27)22(15)26)12-29-25(31)20-11-17(24-19(13-30)3-2-10-28-24)8-9-21(20)32-14-16-5-6-16/h2-4,7-11,16,30H,5-6,12-14H2,1H3,(H,29,31).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 438.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 126629419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).