N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride

C17H28ClN3O2S — CID 119587386

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCC(=O)N1CCc2sccc2C1.Cl
InChIInChI=1S/C17H27N3O2S.ClH/c1-12(2)9-14(10-18)19-16(21)3-4-17(22)20-7-5-15-13(11-20)6-8-23-15;/h6,8,12,14H,3-5,7,9-11,18H2,1-2H3,(H,19,21);1H
InChIKeyQPYDDGGUZPSHGX-UHFFFAOYSA-N
MW373.95 g/mol
LogP2.32
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119587386) has the molecular formula C17H28ClN3O2S and a molecular weight of 373.95 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
PubChem CID119587386
Molecular FormulaC17H28ClN3O2S
Molecular Weight373.95 g/mol
Exact Mass373.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCC(=O)N1CCc2sccc2C1.Cl
InChIInChI=1S/C17H27N3O2S.ClH/c1-12(2)9-14(10-18)19-16(21)3-4-17(22)20-7-5-15-13(11-20)6-8-23-15;/h6,8,12,14H,3-5,7,9-11,18H2,1-2H3,(H,19,21);1H
InChIKeyQPYDDGGUZPSHGX-UHFFFAOYSA-N
XLogP2.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
N-(3-aminopropyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119407293
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methyl-3-piperidin-1-ylpropyl)-4-oxobutanamide
CID 55980799
1-[2-(aminomethyl)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 119468271
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 136516596
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
CID 115676847

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride (CID 119587386) is N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCC(=O)N1CCc2sccc2C1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is QPYDDGGUZPSHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.ClH/c1-12(2)9-14(10-18)19-16(21)3-4-17(22)20-7-5-15-13(11-20)6-8-23-15;/h6,8,12,14H,3-5,7,9-11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 373.95 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119587386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).