N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide

C16H18N2OS — CID 91833208

IUPACN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1cccc(C(NC(=O)Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C16H18N2OS/c1-11-3-2-4-14(17-11)16(13-5-6-13)18-15(19)9-12-7-8-20-10-12/h2-4,7-8,10,13,16H,5-6,9H2,1H3,(H,18,19)
InChIKeyBTYSSXQKDJRTJV-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.26
Rot. Bonds5

About N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 91833208) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide
PubChem CID91833208
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide
SMILESCc1cccc(C(NC(=O)Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C16H18N2OS/c1-11-3-2-4-14(17-11)16(13-5-6-13)18-15(19)9-12-7-8-20-10-12/h2-4,7-8,10,13,16H,5-6,9H2,1H3,(H,18,19)
InChIKeyBTYSSXQKDJRTJV-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 125159205
3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide
CID 118787329
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
CID 97454673
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
1-(6-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 63553811
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 125164990
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
CID 126423675
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 97127947
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide (CID 91833208) is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide is Cc1cccc(C(NC(=O)Cc2ccsc2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is BTYSSXQKDJRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-3-2-4-14(17-11)16(13-5-6-13)18-15(19)9-12-7-8-20-10-12/h2-4,7-8,10,13,16H,5-6,9H2,1H3,(H,18,19).
What are the key properties of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide?
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 286.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91833208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).