N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide

C19H25N3O2S — CID 120890315

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCOCC1(CNC(=O)c2ccc(-c3ccsc3)nc2C)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-16(3-4-17(22-14)15-5-10-25-11-15)18(23)21-12-19(13-24-2)6-8-20-9-7-19/h3-5,10-11,20H,6-9,12-13H2,1-2H3,(H,21,23)
InChIKeyUDVXXOPWHMPTKN-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.86
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 120890315) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID120890315
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCOCC1(CNC(=O)c2ccc(-c3ccsc3)nc2C)CCNCC1
InChIInChI=1S/C19H25N3O2S/c1-14-16(3-4-17(22-14)15-5-10-25-11-15)18(23)21-12-19(13-24-2)6-8-20-9-7-19/h3-5,10-11,20H,6-9,12-13H2,1-2H3,(H,21,23)
InChIKeyUDVXXOPWHMPTKN-UHFFFAOYSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide (CID 120890315) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide is COCC1(CNC(=O)c2ccc(-c3ccsc3)nc2C)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is UDVXXOPWHMPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-16(3-4-17(22-14)15-5-10-25-11-15)18(23)21-12-19(13-24-2)6-8-20-9-7-19/h3-5,10-11,20H,6-9,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 120890315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).