N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C18H20N2O2S — CID 99702373

IUPACN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(OCC2CC2)nc1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H20N2O2S/c21-18(16-8-14-2-1-3-15(14)23-16)20-10-13-6-7-17(19-9-13)22-11-12-4-5-12/h6-9,12H,1-5,10-11H2,(H,20,21)
InChIKeySFIHTUFNSCDCDQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.35
Rot. Bonds6

About N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 99702373) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID99702373
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(OCC2CC2)nc1)c1cc2c(s1)CCC2
InChIInChI=1S/C18H20N2O2S/c21-18(16-8-14-2-1-3-15(14)23-16)20-10-13-6-7-17(19-9-13)22-11-12-4-5-12/h6-9,12H,1-5,10-11H2,(H,20,21)
InChIKeySFIHTUFNSCDCDQ-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51116637
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
N-(1H-pyrazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 60736225
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 126771419
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 87023039
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71888414
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46921237
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
N-(pyrimidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 166229920
N-(1H-pyrrol-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114182035
N-[[3-(methoxymethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55717122
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430830

Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 99702373) is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(NCc1ccc(OCC2CC2)nc1)c1cc2c(s1)CCC2.
What is the InChIKey of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is SFIHTUFNSCDCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(16-8-14-2-1-3-15(14)23-16)20-10-13-6-7-17(19-9-13)22-11-12-4-5-12/h6-9,12H,1-5,10-11H2,(H,20,21).
What are the key properties of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 99702373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).