1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide

C21H19Cl2N5O — CID 71199862

IUPAC1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C21H19Cl2N5O/c22-15-5-3-13(4-6-15)19-20(16-7-8-25-10-17(16)23)27-18(11-26-19)28-9-1-2-14(12-28)21(24)29/h3-8,10-11,14H,1-2,9,12H2,(H2,24,29)
InChIKeyRSMVKYJTJPIYDQ-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.21
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide

1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 71199862) has the molecular formula C21H19Cl2N5O and a molecular weight of 428.32 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID71199862
Molecular FormulaC21H19Cl2N5O
Molecular Weight428.32 g/mol
Exact Mass427.10
IUPAC Name1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C21H19Cl2N5O/c22-15-5-3-13(4-6-15)19-20(16-7-8-25-10-17(16)23)27-18(11-26-19)28-9-1-2-14(12-28)21(24)29/h3-8,10-11,14H,1-2,9,12H2,(H2,24,29)
InChIKeyRSMVKYJTJPIYDQ-UHFFFAOYSA-N
XLogP4.21
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
CID 71199820
3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
CID 143313116
2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile
CID 71199912
1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
CID 174659372
N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylpropanamide
CID 24857903
1-[5-(3-chlorophenyl)-6-(4-propan-2-ylphenyl)pyrazin-2-yl]piperidine-3-carboxylic acid
CID 23323968
(2R)-3-chloro-N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylbutanamide
CID 143313549
6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 43196915
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 169148065
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
CID 71199918
1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 143313537
2-chloropropan-2-yl 4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 143313654

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide (CID 71199862) is 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3Cl)n2)C1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is RSMVKYJTJPIYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O/c22-15-5-3-13(4-6-15)19-20(16-7-8-25-10-17(16)23)27-18(11-26-19)28-9-1-2-14(12-28)21(24)29/h3-8,10-11,14H,1-2,9,12H2,(H2,24,29).
What are the key properties of 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide?
1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 428.32 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71199862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).