N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

C18H23N3O2S — CID 75470831

IUPACN-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(O)c(CN2CCC(NC(=O)c3ccc(C)s3)CC2)n1
InChIInChI=1S/C18H23N3O2S/c1-12-3-5-16(22)15(19-12)11-21-9-7-14(8-10-21)20-18(23)17-6-4-13(2)24-17/h3-6,14,22H,7-11H2,1-2H3,(H,20,23)
InChIKeyBBMBYCBULNYMES-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.86
Rot. Bonds4

About N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 75470831) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID75470831
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(O)c(CN2CCC(NC(=O)c3ccc(C)s3)CC2)n1
InChIInChI=1S/C18H23N3O2S/c1-12-3-5-16(22)15(19-12)11-21-9-7-14(8-10-21)20-18(23)17-6-4-13(2)24-17/h3-6,14,22H,7-11H2,1-2H3,(H,20,23)
InChIKeyBBMBYCBULNYMES-UHFFFAOYSA-N
XLogP2.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 120899451
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
5-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133469263
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 111332774
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
2-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 80550845
N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448028
2-[(4-ethoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982184
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
5-methyl-N-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448378
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 75470831) is N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(O)c(CN2CCC(NC(=O)c3ccc(C)s3)CC2)n1.
What is the InChIKey of N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is BBMBYCBULNYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-3-5-16(22)15(19-12)11-21-9-7-14(8-10-21)20-18(23)17-6-4-13(2)24-17/h3-6,14,22H,7-11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 75470831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).