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

C21H20ClN5O2 — CID 52950155

IUPAC6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H20ClN5O2/c22-17-5-3-15(4-6-17)18-13-23-14-19(26-18)21(28)25-12-16-2-1-7-24-20(16)27-8-10-29-11-9-27/h1-7,13-14H,8-12H2,(H,25,28)
InChIKeyNEGLDDATOGSCRT-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.96
Rot. Bonds5

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

6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 52950155) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID52950155
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H20ClN5O2/c22-17-5-3-15(4-6-17)18-13-23-14-19(26-18)21(28)25-12-16-2-1-7-24-20(16)27-8-10-29-11-9-27/h1-7,13-14H,8-12H2,(H,25,28)
InChIKeyNEGLDDATOGSCRT-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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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 52950155) is 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is O=C(NCc1cccnc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is NEGLDDATOGSCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-17-5-3-15(4-6-17)18-13-23-14-19(26-18)21(28)25-12-16-2-1-7-24-20(16)27-8-10-29-11-9-27/h1-7,13-14H,8-12H2,(H,25,28).
What are the key properties of 6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
6-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-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-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52950155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).