N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide

C21H19N3O3S — CID 1245087

IUPACN-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCC3)c1
InChIInChI=1S/C21H19N3O3S/c1-27-15-7-2-6-14(11-15)23-20(26)18-16-8-3-9-17(16)28-21(18)24-19(25)13-5-4-10-22-12-13/h2,4-7,10-12H,3,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyGZOINQXUFGBYFY-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.14
Rot. Bonds5

About N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide

N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 1245087) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide
PubChem CID1245087
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCC3)c1
InChIInChI=1S/C21H19N3O3S/c1-27-15-7-2-6-14(11-15)23-20(26)18-16-8-3-9-17(16)28-21(18)24-19(25)13-5-4-10-22-12-13/h2,4-7,10-12H,3,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyGZOINQXUFGBYFY-UHFFFAOYSA-N
XLogP4.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10453929
N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093844
13-Methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57397023
2-{[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]amino}-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1296836
N-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3364511
N-(4-Ethoxyphenyl)-6-methyl-2-[(3-pyridylmethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4255600
N-{6-Tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-YL}pyridine-4-carboxamide
CID 4465270
2-[(4-Methoxybenzoyl)amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1083188
N-{6-Tert-butyl-3-[(4-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-YL}pyridine-4-carboxamide
CID 2898563
Methyl 3-methoxy-4-[4-[(6-methoxypyridine-3-carbonyl)amino]phenyl]thiophene-2-carboxylate
CID 137644773
N-(2,5-dimethoxyphenyl)-2-(pyridin-4-ylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1319170
Cambridge id 6875629
CID 1322282

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide (CID 1245087) is N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide is COc1cccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCC3)c1.
What is the InChIKey of N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is GZOINQXUFGBYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-27-15-7-2-6-14(11-15)23-20(26)18-16-8-3-9-17(16)28-21(18)24-19(25)13-5-4-10-22-12-13/h2,4-7,10-12H,3,8-9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1245087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).