3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

C16H18N4O2S — CID 166315721

IUPAC3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccnc2C(N)=O)CC1c1cccs1
InChIInChI=1S/C16H18N4O2S/c1-19-7-8-20(10-12(19)13-5-3-9-23-13)16(22)11-4-2-6-18-14(11)15(17)21/h2-6,9,12H,7-8,10H2,1H3,(H2,17,21)
InChIKeyZTKVIGIZVBPUFR-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.37
Rot. Bonds3

About 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 166315721) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID166315721
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccnc2C(N)=O)CC1c1cccs1
InChIInChI=1S/C16H18N4O2S/c1-19-7-8-20(10-12(19)13-5-3-9-23-13)16(22)11-4-2-6-18-14(11)15(17)21/h2-6,9,12H,7-8,10H2,1H3,(H2,17,21)
InChIKeyZTKVIGIZVBPUFR-UHFFFAOYSA-N
XLogP1.37
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 136566907
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
(2-chlorophenyl)-(4-heptyl-3-thiophen-2-ylpiperazin-1-yl)methanone
CID 166633188
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91904278
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 110293025
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 166315721) is 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is CN1CCN(C(=O)c2cccnc2C(N)=O)CC1c1cccs1.
What is the InChIKey of 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is ZTKVIGIZVBPUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-19-7-8-20(10-12(19)13-5-3-9-23-13)16(22)11-4-2-6-18-14(11)15(17)21/h2-6,9,12H,7-8,10H2,1H3,(H2,17,21).
What are the key properties of 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 166315721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).