3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide

C14H20N4O2S — CID 103542443

IUPAC3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCC(OC)C2)c(C#N)c1N
InChIInChI=1S/C14H20N4O2S/c1-3-5-17-13(19)12-11(16)10(7-15)14(21-12)18-6-4-9(8-18)20-2/h9H,3-6,8,16H2,1-2H3,(H,17,19)
InChIKeyFRCMPTVPHAFCHU-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide

3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide (PubChem CID 103542443) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
PubChem CID103542443
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCC(OC)C2)c(C#N)c1N
InChIInChI=1S/C14H20N4O2S/c1-3-5-17-13(19)12-11(16)10(7-15)14(21-12)18-6-4-9(8-18)20-2/h9H,3-6,8,16H2,1-2H3,(H,17,19)
InChIKeyFRCMPTVPHAFCHU-UHFFFAOYSA-N
XLogP1.57
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103542422
4-amino-2-(3-methoxypyrrolidin-1-yl)-5-propanoylthiophene-3-carbonitrile
CID 103542428
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422052
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
methyl 3-amino-4-cyano-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507257
3-amino-4-cyano-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carboxamide
CID 103421552
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide (CID 103542443) is 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(N2CCC(OC)C2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
The InChIKey is FRCMPTVPHAFCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-5-17-13(19)12-11(16)10(7-15)14(21-12)18-6-4-9(8-18)20-2/h9H,3-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide?
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103542443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).