N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide

C18H18N2OS — CID 121479838

IUPACN-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1sc2nc(C)cc(C)c2c1-c1ccccc1
InChIInChI=1S/C18H18N2OS/c1-4-19-17(21)16-15(13-8-6-5-7-9-13)14-11(2)10-12(3)20-18(14)22-16/h5-10H,4H2,1-3H3,(H,19,21)
InChIKeyVHTPOJWOUJWHQL-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.33
Rot. Bonds3

About N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide

N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479838) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479838
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1sc2nc(C)cc(C)c2c1-c1ccccc1
InChIInChI=1S/C18H18N2OS/c1-4-19-17(21)16-15(13-8-6-5-7-9-13)14-11(2)10-12(3)20-18(14)22-16/h5-10H,4H2,1-3H3,(H,19,21)
InChIKeyVHTPOJWOUJWHQL-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)
CID 144797022
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 123338732
N-[(4-methoxy-3-methylphenyl)methyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121479859
3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 102267908
N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479827
(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid
CID 99701940
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
CID 169006544
ethyl 4,6-dimethyl-3-[(3-phenoxybenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 2373730
N-[4-(diethylamino)-4-oxobutyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 60513491

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 121479838) is N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide is CCNC(=O)c1sc2nc(C)cc(C)c2c1-c1ccccc1.
What is the InChIKey of N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VHTPOJWOUJWHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-4-19-17(21)16-15(13-8-6-5-7-9-13)14-11(2)10-12(3)20-18(14)22-16/h5-10H,4H2,1-3H3,(H,19,21).
What are the key properties of N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide?
N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).