N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C22H19N5O2S — CID 55539770

IUPACN-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESN#Cc1ccnc(N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)c1
InChIInChI=1S/C22H19N5O2S/c23-15-16-6-7-24-20(13-16)26-8-10-27(11-9-26)22(29)17-3-1-4-18(14-17)25-21(28)19-5-2-12-30-19/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyVEEHNRMDXVITFK-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.23
Rot. Bonds4

About N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 55539770) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID55539770
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESN#Cc1ccnc(N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)c1
InChIInChI=1S/C22H19N5O2S/c23-15-16-6-7-24-20(13-16)26-8-10-27(11-9-26)22(29)17-3-1-4-18(14-17)25-21(28)19-5-2-12-30-19/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyVEEHNRMDXVITFK-UHFFFAOYSA-N
XLogP3.23
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174704
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
2-[4-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 97449871
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119647658
1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55832394
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 8732814
3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122342900

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 55539770) is N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is N#Cc1ccnc(N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)c1.
What is the InChIKey of N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is VEEHNRMDXVITFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c23-15-16-6-7-24-20(13-16)26-8-10-27(11-9-26)22(29)17-3-1-4-18(14-17)25-21(28)19-5-2-12-30-19/h1-7,12-14H,8-11H2,(H,25,28).
What are the key properties of N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55539770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).