2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide

C23H23FN2O3S — CID 126629309

IUPAC2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3sccc3CO)cnc2OCC2CC2)cc1F
InChIInChI=1S/C23H23FN2O3S/c1-14-2-3-16(8-20(14)24)10-25-22(28)19-9-18(21-17(12-27)6-7-30-21)11-26-23(19)29-13-15-4-5-15/h2-3,6-9,11,15,27H,4-5,10,12-13H2,1H3,(H,25,28)
InChIKeyXOOWFNNHPBCEKP-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.47
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 126629309) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide
PubChem CID126629309
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3sccc3CO)cnc2OCC2CC2)cc1F
InChIInChI=1S/C23H23FN2O3S/c1-14-2-3-16(8-20(14)24)10-25-22(28)19-9-18(21-17(12-27)6-7-30-21)11-26-23(19)29-13-15-4-5-15/h2-3,6-9,11,15,27H,4-5,10,12-13H2,1H3,(H,25,28)
InChIKeyXOOWFNNHPBCEKP-UHFFFAOYSA-N
XLogP4.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethoxy)-5-[2-[(dimethylamino)methyl]phenyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 126629343
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-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 126629310
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-[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-(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-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 118336186
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 126629419
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
CID 126629412
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide (CID 126629309) is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3sccc3CO)cnc2OCC2CC2)cc1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is XOOWFNNHPBCEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-14-2-3-16(8-20(14)24)10-25-22(28)19-9-18(21-17(12-27)6-7-30-21)11-26-23(19)29-13-15-4-5-15/h2-3,6-9,11,15,27H,4-5,10,12-13H2,1H3,(H,25,28).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide?
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 126629309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).