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

C25H26N2O3 — CID 126629412

IUPAC2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CC2)c1
InChIInChI=1S/C25H26N2O3/c1-17-4-2-5-19(12-17)14-27-25(29)22-13-20(24-21(15-28)6-3-11-26-24)9-10-23(22)30-16-18-7-8-18/h2-6,9-13,18,28H,7-8,14-16H2,1H3,(H,27,29)
InChIKeyVBBUOIOOFGHYTB-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.27
Rot. Bonds8

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

2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 126629412) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID126629412
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CC2)c1
InChIInChI=1S/C25H26N2O3/c1-17-4-2-5-19(12-17)14-27-25(29)22-13-20(24-21(15-28)6-3-11-26-24)9-10-23(22)30-16-18-7-8-18/h2-6,9-13,18,28H,7-8,14-16H2,1H3,(H,27,29)
InChIKeyVBBUOIOOFGHYTB-UHFFFAOYSA-N
XLogP4.27
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide
CID 144908491
2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 126629419
1-[2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone
CID 123689350
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-2-methylpropanoate
CID 118336008
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide
CID 126629287
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-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 126629310
2-methoxy-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148183
3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148201
2-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148188
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 118336186
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylbutoxy)benzamide
CID 144908484

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide (CID 126629412) is 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is VBBUOIOOFGHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-4-2-5-19(12-17)14-27-25(29)22-13-20(24-21(15-28)6-3-11-26-24)9-10-23(22)30-16-18-7-8-18/h2-6,9-13,18,28H,7-8,14-16H2,1H3,(H,27,29).
What are the key properties of 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide?
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 126629412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).