4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

C17H19N5OS — CID 86915013

IUPAC4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C17H19N5OS/c18-13-14-3-1-6-19-16(14)21-8-10-22(11-9-21)17(23)20-7-5-15-4-2-12-24-15/h1-4,6,12H,5,7-11H2,(H,20,23)
InChIKeyPHNQEWRKIOZJJA-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.09
Rot. Bonds4

About 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (PubChem CID 86915013) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
PubChem CID86915013
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C17H19N5OS/c18-13-14-3-1-6-19-16(14)21-8-10-22(11-9-21)17(23)20-7-5-15-4-2-12-24-15/h1-4,6,12H,5,7-11H2,(H,20,23)
InChIKeyPHNQEWRKIOZJJA-UHFFFAOYSA-N
XLogP2.09
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 17424248
4-(3-cyano-2-pyridinyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 86837299
4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 78832231
ethyl 5-chloro-6-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 54584960
4-(3-cyano-2-pyridinyl)-N-[(1-phenylcyclobutyl)methyl]-1,4-diazepane-1-carboxamide
CID 86837353
4-(3-cyano-2-pyridinyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 86837586
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5009855
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1,4-thiazepane-4-carboxamide
CID 71940540

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (CID 86915013) is 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is N#Cc1cccnc1N1CCN(C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is PHNQEWRKIOZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c18-13-14-3-1-6-19-16(14)21-8-10-22(11-9-21)17(23)20-7-5-15-4-2-12-24-15/h1-4,6,12H,5,7-11H2,(H,20,23).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86915013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).