6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C27H29N5O3 — CID 69372125

About 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 69372125) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 69372125
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: COc1ccc(C(c2ccc(OC(C)C)nc2)N2CCC(NC(=O)c3ccc(C#N)nc3)C2)cc1
• InChI: InChI=1S/C27H29N5O3/c1-18(2)35-25-11-7-20(15-30-25)26(19-5-9-24(34-3)10-6-19)32-13-12-23(17-32)31-27(33)21-4-8-22(14-28)29-16-21/h4-11,15-16,18,23,26H,12-13,17H2,1-3H3,(H,31,33)
• InChIKey: RJFAYQJGOAXIKD-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 100.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 69372125) is 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is COc1ccc(C(c2ccc(OC(C)C)nc2)N2CCC(NC(=O)c3ccc(C#N)nc3)C2)cc1.

What is the InChIKey of 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

The InChIKey is RJFAYQJGOAXIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18(2)35-25-11-7-20(15-30-25)26(19-5-9-24(34-3)10-6-19)32-13-12-23(17-32)31-27(33)21-4-8-22(14-28)29-16-21/h4-11,15-16,18,23,26H,12-13,17H2,1-3H3,(H,31,33).

What are the key properties of 6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?

6-cyano-N-[1-[(4-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.74, 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-methoxyphenyl)-(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69372125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).