6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide

C21H20ClN5O — CID 52942340

IUPAC6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1N1CCCC1)c1cncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28)
InChIKeyXUEHBVFEQMVDHJ-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.72
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide

6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 52942340) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID52942340
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1N1CCCC1)c1cncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28)
InChIKeyXUEHBVFEQMVDHJ-UHFFFAOYSA-N
XLogP3.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 52942340) is 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is O=C(NCc1cccnc1N1CCCC1)c1cncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is XUEHBVFEQMVDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-17-7-5-15(6-8-17)18-13-23-14-19(26-18)21(28)25-12-16-4-3-9-24-20(16)27-10-1-2-11-27/h3-9,13-14H,1-2,10-12H2,(H,25,28).
What are the key properties of 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 393.88 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52942340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).