6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine

C₂₃H₂₇F₂N₅O — CID 156638413

About 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine

6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine (PubChem CID 156638413) has the molecular formula C₂₃H₂₇F₂N₅O and a molecular weight of 427.50 g/mol. Its IUPAC name is 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine.

Molecular Properties

• Compound Name: 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine
• PubChem CID: 156638413
• Molecular Formula: C₂₃H₂₇F₂N₅O
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.22
• IUPAC Name: 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine
• SMILES: CC1CCN(c2c(C(=O)NCC3CC3)cnc(C#N)c2-c2cc(F)cc(F)c2)C1.CN
• InChI: InChI=1S/C22H22F2N4O.CH5N/c1-13-4-5-28(12-13)21-18(22(29)27-10-14-2-3-14)11-26-19(9-25)20(21)15-6-16(23)8-17(24)7-15;1-2/h6-8,11,13-14H,2-5,10,12H2,1H3,(H,27,29);2H2,1H3
• InChIKey: GTJAEORSESDWJS-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 95.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?

The IUPAC name of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine (CID 156638413) is 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine.

What is the SMILES notation for 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?

The canonical SMILES for 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine is CC1CCN(c2c(C(=O)NCC3CC3)cnc(C#N)c2-c2cc(F)cc(F)c2)C1.CN.

What is the InChIKey of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?

The InChIKey is GTJAEORSESDWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O.CH5N/c1-13-4-5-28(12-13)21-18(22(29)27-10-14-2-3-14)11-26-19(9-25)20(21)15-6-16(23)8-17(24)7-15;1-2/h6-8,11,13-14H,2-5,10,12H2,1H3,(H,27,29);2H2,1H3.

What are the key properties of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?

6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine has a molecular weight of 427.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine is sourced from PubChem (CID 156638413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156638413 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.