5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide

C20H20ClN5O — CID 167878204

IUPAC5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccnc(N2CCNCC2)c1)c1ccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C20H20ClN5O/c21-15-3-1-14(2-4-15)17-5-6-18(25-17)20(27)24-16-7-8-23-19(13-16)26-11-9-22-10-12-26/h1-8,13,22,25H,9-12H2,(H,23,24,27)
InChIKeyXWCRWNONSQPORR-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.39
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide

5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 167878204) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID167878204
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccnc(N2CCNCC2)c1)c1ccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C20H20ClN5O/c21-15-3-1-14(2-4-15)17-5-6-18(25-17)20(27)24-16-7-8-23-19(13-16)26-11-9-22-10-12-26/h1-8,13,22,25H,9-12H2,(H,23,24,27)
InChIKeyXWCRWNONSQPORR-UHFFFAOYSA-N
XLogP3.39
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
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CID 167788830
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 70689582
6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
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[4-chloro-2-(2-piperazin-1-yl-4-pyridinyl)phenyl] 2,2-dimethylpropanoate
CID 175287819
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide
CID 166166170
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
N-(2,5-dichlorophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166252
4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
CID 95929569

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide (CID 167878204) is 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccnc(N2CCNCC2)c1)c1ccc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is XWCRWNONSQPORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-15-3-1-14(2-4-15)17-5-6-18(25-17)20(27)24-16-7-8-23-19(13-16)26-11-9-22-10-12-26/h1-8,13,22,25H,9-12H2,(H,23,24,27).
What are the key properties of 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide?
5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167878204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).