N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

C15H19N5OS — CID 95313521

IUPACN-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESC[C@@H](NCCC(=O)Nc1sccc1C#N)[C@H](C)n1cccn1
InChIInChI=1S/C15H19N5OS/c1-11(12(2)20-8-3-6-18-20)17-7-4-14(21)19-15-13(10-16)5-9-22-15/h3,5-6,8-9,11-12,17H,4,7H2,1-2H3,(H,19,21)/t11-,12+/m1/s1
InChIKeyIXSLVRIXGMCLLW-NEPJUHHUSA-N
MW317.42 g/mol
LogP2.38
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (PubChem CID 95313521) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
PubChem CID95313521
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESC[C@@H](NCCC(=O)Nc1sccc1C#N)[C@H](C)n1cccn1
InChIInChI=1S/C15H19N5OS/c1-11(12(2)20-8-3-6-18-20)17-7-4-14(21)19-15-13(10-16)5-9-22-15/h3,5-6,8-9,11-12,17H,4,7H2,1-2H3,(H,19,21)/t11-,12+/m1/s1
InChIKeyIXSLVRIXGMCLLW-NEPJUHHUSA-N
XLogP2.38
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide with MolForge

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Related Compounds

N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95613902
N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide
CID 51965760
N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 9392522
N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
CID 18089068
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 95349347
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468420
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95613999
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
4-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473525
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (CID 95313521) is N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is C[C@@H](NCCC(=O)Nc1sccc1C#N)[C@H](C)n1cccn1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The InChIKey is IXSLVRIXGMCLLW-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(12(2)20-8-3-6-18-20)17-7-4-14(21)19-15-13(10-16)5-9-22-15/h3,5-6,8-9,11-12,17H,4,7H2,1-2H3,(H,19,21)/t11-,12+/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide has a molecular weight of 317.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is sourced from PubChem (CID 95313521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).