2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide

C17H21N5O2S — CID 9459404

IUPAC2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H21N5O2S/c1-12(16(24)20-17-13(15(18)23)5-11-25-17)21-7-9-22(10-8-21)14-4-2-3-6-19-14/h2-6,11-12H,7-10H2,1H3,(H2,18,23)(H,20,24)/t12-/m1/s1
InChIKeyHVCGMOMCHCDNPY-GFCCVEGCSA-N
MW359.46 g/mol
LogP1.39
Rot. Bonds5

About 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 9459404) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
PubChem CID9459404
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H21N5O2S/c1-12(16(24)20-17-13(15(18)23)5-11-25-17)21-7-9-22(10-8-21)14-4-2-3-6-19-14/h2-6,11-12H,7-10H2,1H3,(H2,18,23)(H,20,24)/t12-/m1/s1
InChIKeyHVCGMOMCHCDNPY-GFCCVEGCSA-N
XLogP1.39
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46558698
2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 40820681
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 18286430

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide (CID 9459404) is 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide is C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is HVCGMOMCHCDNPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-12(16(24)20-17-13(15(18)23)5-11-25-17)21-7-9-22(10-8-21)14-4-2-3-6-19-14/h2-6,11-12H,7-10H2,1H3,(H2,18,23)(H,20,24)/t12-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9459404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).