N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide

C15H16N2OS — CID 107032638

IUPACN-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
SMILESCc1cccc(CN(C)C(=O)c2cccc(S)c2)n1
InChIInChI=1S/C15H16N2OS/c1-11-5-3-7-13(16-11)10-17(2)15(18)12-6-4-8-14(19)9-12/h3-9,19H,10H2,1-2H3
InChIKeyYEVHMCKMQRSAKM-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.95
Rot. Bonds3

About N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide

N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide (PubChem CID 107032638) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
PubChem CID107032638
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
SMILESCc1cccc(CN(C)C(=O)c2cccc(S)c2)n1
InChIInChI=1S/C15H16N2OS/c1-11-5-3-7-13(16-11)10-17(2)15(18)12-6-4-8-14(19)9-12/h3-9,19H,10H2,1-2H3
InChIKeyYEVHMCKMQRSAKM-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103957226
5-hydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004030
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 79004078
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905
N-methyl-N-prop-2-enyl-3-sulfanylbenzamide
CID 107033477

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide?
The IUPAC name of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide (CID 107032638) is N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide is Cc1cccc(CN(C)C(=O)c2cccc(S)c2)n1.
What is the InChIKey of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide?
The InChIKey is YEVHMCKMQRSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-5-3-7-13(16-11)10-17(2)15(18)12-6-4-8-14(19)9-12/h3-9,19H,10H2,1-2H3.
What are the key properties of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide?
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107032638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).