6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide

C21H20ClN5O2 — CID 52948416

IUPAC6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H20ClN5O2/c22-17-3-1-15(2-4-17)18-12-24-13-19(26-18)21(28)25-11-16-5-6-23-14-20(16)27-7-9-29-10-8-27/h1-6,12-14H,7-11H2,(H,25,28)
InChIKeyXODADHNSUQUULV-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.96
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide

6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 52948416) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID52948416
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H20ClN5O2/c22-17-3-1-15(2-4-17)18-12-24-13-19(26-18)21(28)25-11-16-5-6-23-14-20(16)27-7-9-29-10-8-27/h1-6,12-14H,7-11H2,(H,25,28)
InChIKeyXODADHNSUQUULV-UHFFFAOYSA-N
XLogP2.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-Diaryl-pyrazine-2-amide derivative, 7d
CID 10127040
5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide
CID 10173396
5,6-bis(4-chlorophenyl)-N-(piperidin-1-yl)pyrazine-2-carboxamide
CID 10216596
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-chlorophenyl)pyridine-2-carboxamide
CID 68187478
5,6-Diaryl-pyrazine-2-amide derivative, 6e
CID 10216582
5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carboxamide
CID 11178712
4-(2-(4-(7-Chloro-4-quinolyl)piperazin-1-yl)acetyl)morpholine (5e)
CID 60592153
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-[2-(cyclohexylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 44392670
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-[2-(cyclohexylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 44392686
N-[2-(tert-butylamino)-2-oxoethyl]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]pyrazine-2-carboxamide
CID 44392716
(S)-5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 44440744
N-((2-Pyrrolidin-1-yl-pyridin-3-yl)methyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide
CID 52942340

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide (CID 52948416) is 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccncc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is XODADHNSUQUULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-17-3-1-15(2-4-17)18-12-24-13-19(26-18)21(28)25-11-16-5-6-23-14-20(16)27-7-9-29-10-8-27/h1-6,12-14H,7-11H2,(H,25,28).
What are the key properties of 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide?
6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(3-morpholin-4-yl-4-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52948416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).