N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide

C24H24ClN5O2 — CID 125014411

About N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide

N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 125014411) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
• PubChem CID: 125014411
• Molecular Formula: C24H24ClN5O2
• Molecular Weight: 449.94 g/mol
• Exact Mass: 449.16
• IUPAC Name: N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
• SMILES: O=C(NCCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)c1cccnc1
• InChI: InChI=1S/C24H24ClN5O2/c25-19-6-1-4-17(12-19)13-20-15-27-16-21(29-20)22-7-3-11-30(22)23(31)8-10-28-24(32)18-5-2-9-26-14-18/h1-2,4-6,9,12,14-16,22H,3,7-8,10-11,13H2,(H,28,32)/t22-/m1/s1
• InChIKey: WMDUJWDKEWNPAG-JOCHJYFZSA-N
• XLogP: 3.60
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.94
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide (CID 125014411) is N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide is O=C(NCCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)c1cccnc1.

What is the InChIKey of N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide?

The InChIKey is WMDUJWDKEWNPAG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c25-19-6-1-4-17(12-19)13-20-15-27-16-21(29-20)22-7-3-11-30(22)23(31)8-10-28-24(32)18-5-2-9-26-14-18/h1-2,4-6,9,12,14-16,22H,3,7-8,10-11,13H2,(H,28,32)/t22-/m1/s1.

What are the key properties of N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide?

N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 125014411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).