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

C25H25FN2O3 — CID 126629287

IUPAC2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3CO)ccc2OCC2CC2)cc1F
InChIInChI=1S/C25H25FN2O3/c1-16-2-3-18(10-23(16)26)12-28-25(30)22-11-19(21-8-9-27-13-20(21)14-29)6-7-24(22)31-15-17-4-5-17/h2-3,6-11,13,17,29H,4-5,12,14-15H2,1H3,(H,28,30)
InChIKeyHWSUVFHWHSRHQJ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.41
Rot. Bonds8

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

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide (PubChem CID 126629287) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide
PubChem CID126629287
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3CO)ccc2OCC2CC2)cc1F
InChIInChI=1S/C25H25FN2O3/c1-16-2-3-18(10-23(16)26)12-28-25(30)22-11-19(21-8-9-27-13-20(21)14-29)6-7-24(22)31-15-17-4-5-17/h2-3,6-11,13,17,29H,4-5,12,14-15H2,1H3,(H,28,30)
InChIKeyHWSUVFHWHSRHQJ-UHFFFAOYSA-N
XLogP4.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 126629310
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide
CID 126629290
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide
CID 126629314
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 118336186
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide
CID 126629309
2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 126629419
2-(cyclopropylmethoxy)-5-[2-[(dimethylamino)methyl]phenyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 126629343
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
CID 126629412
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118335951
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 118335978
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-2-methylpropanoate
CID 118336008
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide
CID 144908491

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide (CID 126629287) is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide is Cc1ccc(CNC(=O)c2cc(-c3ccncc3CO)ccc2OCC2CC2)cc1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide?
The InChIKey is HWSUVFHWHSRHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-16-2-3-18(10-23(16)26)12-28-25(30)22-11-19(21-8-9-27-13-20(21)14-29)6-7-24(22)31-15-17-4-5-17/h2-3,6-11,13,17,29H,4-5,12,14-15H2,1H3,(H,28,30).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide?
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 126629287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).