2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide

About 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide

2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 146316049) has the molecular formula C26H30ClF3N4O4 and a molecular weight of 555.00 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID	146316049
Molecular Formula	C26H30ClF3N4O4
Molecular Weight	555.00 g/mol
Exact Mass	554.19
IUPAC Name	2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide
SMILES	CNC(=O)c1ccc(N2CCC([C@H]3C[C@H]3CNC(=O)[C@](O)(c3cccc(OC)c3)C(F)(F)F)CC2)nc1Cl
InChI	InChI=1S/C26H30ClF3N4O4/c1-31-23(35)19-6-7-21(33-22(19)27)34-10-8-15(9-11-34)20-12-16(20)14-32-24(36)25(37,26(28,29)30)17-4-3-5-18(13-17)38-2/h3-7,13,15-16,20,37H,8-12,14H2,1-2H3,(H,31,35)(H,32,36)/t16-,20+,25+/m0/s1
InChIKey	FTLPNGLOEWXNHA-CQSIOLINSA-N
XLogP	3.52
TPSA	103.79 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.00
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide (CID 146316049) is 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide is CNC(=O)c1ccc(N2CCC([C@H]3C[C@H]3CNC(=O)[C@](O)(c3cccc(OC)c3)C(F)(F)F)CC2)nc1Cl.

What is the InChIKey of 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is FTLPNGLOEWXNHA-CQSIOLINSA-N. The full InChI is InChI=1S/C26H30ClF3N4O4/c1-31-23(35)19-6-7-21(33-22(19)27)34-10-8-15(9-11-34)20-12-16(20)14-32-24(36)25(37,26(28,29)30)17-4-3-5-18(13-17)38-2/h3-7,13,15-16,20,37H,8-12,14H2,1-2H3,(H,31,35)(H,32,36)/t16-,20+,25+/m0/s1.

What are the key properties of 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide?

2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 555.00 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methyl-6-[4-[(1R,2R)-2-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]methyl]cyclopropyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146316049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).