N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide

C13H18N4OS — CID 115300684

IUPACN-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
SMILESCNC1CCN(CCC(=O)Nc2sccc2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-15-11-2-5-17(9-11)6-3-12(18)16-13-10(8-14)4-7-19-13/h4,7,11,15H,2-3,5-6,9H2,1H3,(H,16,18)
InChIKeyJOKCHYUPTDUEIG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.24
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide (PubChem CID 115300684) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
PubChem CID115300684
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
SMILESCNC1CCN(CCC(=O)Nc2sccc2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-15-11-2-5-17(9-11)6-3-12(18)16-13-10(8-14)4-7-19-13/h4,7,11,15H,2-3,5-6,9H2,1H3,(H,16,18)
InChIKeyJOKCHYUPTDUEIG-UHFFFAOYSA-N
XLogP1.24
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 79867752
N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61205508
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 95602435
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
CID 18279657
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 32697229
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide (CID 115300684) is N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide is CNC1CCN(CCC(=O)Nc2sccc2C#N)C1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide?
The InChIKey is JOKCHYUPTDUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-15-11-2-5-17(9-11)6-3-12(18)16-13-10(8-14)4-7-19-13/h4,7,11,15H,2-3,5-6,9H2,1H3,(H,16,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide has a molecular weight of 278.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 115300684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).