N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

C18H19N3O3S — CID 75368916

IUPACN-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O
InChIInChI=1S/C18H19N3O3S/c1-21-8-7-10(9-14(21)22)16(23)20-18-15(17(24)19-11-5-6-11)12-3-2-4-13(12)25-18/h7-9,11H,2-6H2,1H3,(H,19,24)(H,20,23)
InChIKeyXQMJZTPJRLSUQI-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.08
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 75368916) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID75368916
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O
InChIInChI=1S/C18H19N3O3S/c1-21-8-7-10(9-14(21)22)16(23)20-18-15(17(24)19-11-5-6-11)12-3-2-4-13(12)25-18/h7-9,11H,2-6H2,1H3,(H,19,24)(H,20,23)
InChIKeyXQMJZTPJRLSUQI-UHFFFAOYSA-N
XLogP2.08
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide
CID 6468788
N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17174182
5-[[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 17377132
cis-(1S,2R)-2-[[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27520568
N-cyclopropyl-2-(3,3-dicyclopropylprop-2-enoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 71935001
6-[[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17377086
1-acetyl-N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide
CID 6469353
N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
CID 17172854
methyl 2-[[3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4161537
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 41035451
N-cyclopropyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 97009916

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 75368916) is N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is XQMJZTPJRLSUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21-8-7-10(9-14(21)22)16(23)20-18-15(17(24)19-11-5-6-11)12-3-2-4-13(12)25-18/h7-9,11H,2-6H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 75368916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).