2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide

C19H25N3O2S — CID 135092242

IUPAC2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(N2CCC(C(O)c3cccs3)CC2)c1
InChIInChI=1S/C19H25N3O2S/c1-13(2)21-19(24)15-5-8-20-17(12-15)22-9-6-14(7-10-22)18(23)16-4-3-11-25-16/h3-5,8,11-14,18,23H,6-7,9-10H2,1-2H3,(H,21,24)
InChIKeyODGRWKSKEPVZGQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide

2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 135092242) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide
PubChem CID135092242
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(N2CCC(C(O)c3cccs3)CC2)c1
InChIInChI=1S/C19H25N3O2S/c1-13(2)21-19(24)15-5-8-20-17(12-15)22-9-6-14(7-10-22)18(23)16-4-3-11-25-16/h3-5,8,11-14,18,23H,6-7,9-10H2,1-2H3,(H,21,24)
InChIKeyODGRWKSKEPVZGQ-UHFFFAOYSA-N
XLogP3.23
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 134710516
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109170069
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
CID 95435807
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 119063986
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide (CID 135092242) is 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(N2CCC(C(O)c3cccs3)CC2)c1.
What is the InChIKey of 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is ODGRWKSKEPVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(2)21-19(24)15-5-8-20-17(12-15)22-9-6-14(7-10-22)18(23)16-4-3-11-25-16/h3-5,8,11-14,18,23H,6-7,9-10H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide?
2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 135092242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).