6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C20H24ClN5O2S — CID 118307242

IUPAC6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Nc3cn(C)c4ccccc34)c2C(N)=O)C1.Cl
InChIInChI=1S/C20H23N5O2S.ClH/c1-3-25-9-8-13-16(11-25)28-19(17(13)18(21)26)23-20(27)22-14-10-24(2)15-7-5-4-6-12(14)15;/h4-7,10H,3,8-9,11H2,1-2H3,(H2,21,26)(H2,22,23,27);1H
InChIKeyZNUVIFDPARCDMX-UHFFFAOYSA-N
MW433.97 g/mol
LogP3.78
Rot. Bonds4

About 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 118307242) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID118307242
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC Name6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Nc3cn(C)c4ccccc34)c2C(N)=O)C1.Cl
InChIInChI=1S/C20H23N5O2S.ClH/c1-3-25-9-8-13-16(11-25)28-19(17(13)18(21)26)23-20(27)22-14-10-24(2)15-7-5-4-6-12(14)15;/h4-7,10H,3,8-9,11H2,1-2H3,(H2,21,26)(H2,22,23,27);1H
InChIKeyZNUVIFDPARCDMX-UHFFFAOYSA-N
XLogP3.78
TPSA92.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
CID 118270490
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
6-ethyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798261
2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307448
2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307342
2-[3-(benzenesulfonyl)propanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7189684
2-[[(Z)-3-(2-chlorophenyl)prop-2-enoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950319
2-[[4-(dimethylamino)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3516740
2-[(4-ethoxybenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4161508
6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53313256
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806226
6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16813892

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 118307242) is 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CCN1CCc2c(sc(NC(=O)Nc3cn(C)c4ccccc34)c2C(N)=O)C1.Cl.
What is the InChIKey of 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is ZNUVIFDPARCDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S.ClH/c1-3-25-9-8-13-16(11-25)28-19(17(13)18(21)26)23-20(27)22-14-10-24(2)15-7-5-4-6-12(14)15;/h4-7,10H,3,8-9,11H2,1-2H3,(H2,21,26)(H2,22,23,27);1H.
What are the key properties of 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 433.97 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(1-methylindol-3-yl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 118307242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).