6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C28H26N6O2 — CID 73034137

About 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 73034137) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 73034137
• Molecular Formula: C28H26N6O2
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.21
• IUPAC Name: 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: N#Cc1ccc(C(c2ccc(OCC3CC3)nc2)N2CCC(NC(=O)c3ccc(C#N)nc3)C2)cc1
• InChI: InChI=1S/C28H26N6O2/c29-13-19-3-5-21(6-4-19)27(22-8-10-26(32-15-22)36-18-20-1-2-20)34-12-11-25(17-34)33-28(35)23-7-9-24(14-30)31-16-23/h3-10,15-16,20,25,27H,1-2,11-12,17-18H2,(H,33,35)
• InChIKey: LRJCKSDJABZOJE-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 114.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 73034137) is 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is N#Cc1ccc(C(c2ccc(OCC3CC3)nc2)N2CCC(NC(=O)c3ccc(C#N)nc3)C2)cc1.

What is the InChIKey of 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

The InChIKey is LRJCKSDJABZOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c29-13-19-3-5-21(6-4-19)27(22-8-10-26(32-15-22)36-18-20-1-2-20)34-12-11-25(17-34)33-28(35)23-7-9-24(14-30)31-16-23/h3-10,15-16,20,25,27H,1-2,11-12,17-18H2,(H,33,35).

What are the key properties of 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-N-[1-[(4-cyanophenyl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 73034137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).