N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide

C17H22N4O2S — CID 45209965

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N3CCCC(O)C3)nc2)n1
InChIInChI=1S/C17H22N4O2S/c1-2-13-11-24-16(20-13)9-19-17(23)12-5-6-15(18-8-12)21-7-3-4-14(22)10-21/h5-6,8,11,14,22H,2-4,7,9-10H2,1H3,(H,19,23)
InChIKeyXDFMBQUYXDOZCB-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.99
Rot. Bonds5

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 45209965) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
PubChem CID45209965
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N3CCCC(O)C3)nc2)n1
InChIInChI=1S/C17H22N4O2S/c1-2-13-11-24-16(20-13)9-19-17(23)12-5-6-15(18-8-12)21-7-3-4-14(22)10-21/h5-6,8,11,14,22H,2-4,7,9-10H2,1H3,(H,19,23)
InChIKeyXDFMBQUYXDOZCB-UHFFFAOYSA-N
XLogP1.99
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 56744781
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56741406
6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 56760582
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
CID 45244073
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 95230442
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide (CID 45209965) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide is CCc1csc(CNC(=O)c2ccc(N3CCCC(O)C3)nc2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is XDFMBQUYXDOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-13-11-24-16(20-13)9-19-17(23)12-5-6-15(18-8-12)21-7-3-4-14(22)10-21/h5-6,8,11,14,22H,2-4,7,9-10H2,1H3,(H,19,23).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 45209965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).