N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide

C18H19N3O2S — CID 166361600

IUPACN-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide
SMILESCc1cc(CN(C)C)ccc1NC(=O)c1c[nH]c(=O)c2ccsc12
InChIInChI=1S/C18H19N3O2S/c1-11-8-12(10-21(2)3)4-5-15(11)20-18(23)14-9-19-17(22)13-6-7-24-16(13)14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyBDHXVIHIMBFPJV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.21
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide

N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 166361600) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide
PubChem CID166361600
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide
SMILESCc1cc(CN(C)C)ccc1NC(=O)c1c[nH]c(=O)c2ccsc12
InChIInChI=1S/C18H19N3O2S/c1-11-8-12(10-21(2)3)4-5-15(11)20-18(23)14-9-19-17(22)13-6-7-24-16(13)14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyBDHXVIHIMBFPJV-UHFFFAOYSA-N
XLogP3.21
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide (CID 166361600) is N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide is Cc1cc(CN(C)C)ccc1NC(=O)c1c[nH]c(=O)c2ccsc12.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is BDHXVIHIMBFPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-8-12(10-21(2)3)4-5-15(11)20-18(23)14-9-19-17(22)13-6-7-24-16(13)14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide?
N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-methylphenyl]-4-oxo-5H-thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 166361600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).