3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride

C18H22ClN3O2S — CID 119278974

IUPAC3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride
SMILESCc1c(NC(=O)CCN)cccc1C(=O)N1CCc2sccc2C1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-12-14(3-2-4-15(12)20-17(22)5-8-19)18(23)21-9-6-16-13(11-21)7-10-24-16;/h2-4,7,10H,5-6,8-9,11,19H2,1H3,(H,20,22);1H
InChIKeyOLWPQVSNCKQVSD-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride

3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride (PubChem CID 119278974) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride
PubChem CID119278974
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride
SMILESCc1c(NC(=O)CCN)cccc1C(=O)N1CCc2sccc2C1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-12-14(3-2-4-15(12)20-17(22)5-8-19)18(23)21-9-6-16-13(11-21)7-10-24-16;/h2-4,7,10H,5-6,8-9,11,19H2,1H3,(H,20,22);1H
InChIKeyOLWPQVSNCKQVSD-UHFFFAOYSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 33301553
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 33304902
N-[3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-3-oxopropyl]thiophene-2-carboxamide
CID 33297368
N-[2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-2-oxoethyl]prop-2-enamide
CID 166411576
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33304130
2-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]pentanamide;hydrochloride
CID 119278980
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 78904536
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 33301278
4-chloro-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
CID 46542148
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 33297727
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826332
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(2-methoxyethyl)urea
CID 71895876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride (CID 119278974) is 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride is Cc1c(NC(=O)CCN)cccc1C(=O)N1CCc2sccc2C1.Cl.
What is the InChIKey of 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride?
The InChIKey is OLWPQVSNCKQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c1-12-14(3-2-4-15(12)20-17(22)5-8-19)18(23)21-9-6-16-13(11-21)7-10-24-16;/h2-4,7,10H,5-6,8-9,11,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride?
3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride is sourced from PubChem (CID 119278974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).