N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide

C18H19N3OS — CID 25487904

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H19N3OS/c1-11-12(2)21-16-7-6-13(9-15(11)16)10-20-17(22)14-5-4-8-19-18(14)23-3/h4-9,21H,10H2,1-3H3,(H,20,22)
InChIKeyQQOAOBXORLKOCN-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.83
Rot. Bonds4

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 25487904) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID25487904
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H19N3OS/c1-11-12(2)21-16-7-6-13(9-15(11)16)10-20-17(22)14-5-4-8-19-18(14)23-3/h4-9,21H,10H2,1-3H3,(H,20,22)
InChIKeyQQOAOBXORLKOCN-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060903
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47080000
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46968435
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
CID 75503534

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 25487904) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is QQOAOBXORLKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-12(2)21-16-7-6-13(9-15(11)16)10-20-17(22)14-5-4-8-19-18(14)23-3/h4-9,21H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 25487904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).