N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide

C16H16N4OS — CID 122274062

IUPACN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
SMILESCn1nccc1-c1cncc(CNC(=O)Cc2ccsc2)c1
InChIInChI=1S/C16H16N4OS/c1-20-15(2-4-19-20)14-6-13(8-17-10-14)9-18-16(21)7-12-3-5-22-11-12/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyWIIGKKTVLOIIPY-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.40
Rot. Bonds5

About N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 122274062) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
PubChem CID122274062
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
SMILESCn1nccc1-c1cncc(CNC(=O)Cc2ccsc2)c1
InChIInChI=1S/C16H16N4OS/c1-20-15(2-4-19-20)14-6-13(8-17-10-14)9-18-16(21)7-12-3-5-22-11-12/h2-6,8,10-11H,7,9H2,1H3,(H,18,21)
InChIKeyWIIGKKTVLOIIPY-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273925
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122274023
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 122273897

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide (CID 122274062) is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide is Cn1nccc1-c1cncc(CNC(=O)Cc2ccsc2)c1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is WIIGKKTVLOIIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20-15(2-4-19-20)14-6-13(8-17-10-14)9-18-16(21)7-12-3-5-22-11-12/h2-6,8,10-11H,7,9H2,1H3,(H,18,21).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide?
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 312.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 122274062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).