N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide

C32H37N5O4S — CID 176665510

About N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide

N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide (PubChem CID 176665510) has the molecular formula C32H37N5O4S and a molecular weight of 587.75 g/mol. Its IUPAC name is N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
• PubChem CID: 176665510
• Molecular Formula: C32H37N5O4S
• Molecular Weight: 587.75 g/mol
• Exact Mass: 587.26
• IUPAC Name: N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
• SMILES: Cc1ccc(C(=O)NCc2cc3nc(-c4cccc(N5C[C@@H](C)C(CCO)[C@@H](C)C5)n4)ccc3cn2)cc1S(C)(=O)=O
• InChI: InChI=1S/C32H37N5O4S/c1-20-8-9-23(14-30(20)42(4,40)41)32(39)34-17-25-15-29-24(16-33-25)10-11-28(35-29)27-6-5-7-31(36-27)37-18-21(2)26(12-13-38)22(3)19-37/h5-11,14-16,21-22,26,38H,12-13,17-19H2,1-4H3,(H,34,39)/t21-,22+,26?
• InChIKey: NBXHEMPLXVVHHI-KMXBQNHCSA-N
• XLogP: 4.42
• TPSA: 125.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.75
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?

The IUPAC name of N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide (CID 176665510) is N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide.

What is the SMILES notation for N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?

The canonical SMILES for N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide is Cc1ccc(C(=O)NCc2cc3nc(-c4cccc(N5C[C@@H](C)C(CCO)[C@@H](C)C5)n4)ccc3cn2)cc1S(C)(=O)=O.

What is the InChIKey of N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?

The InChIKey is NBXHEMPLXVVHHI-KMXBQNHCSA-N. The full InChI is InChI=1S/C32H37N5O4S/c1-20-8-9-23(14-30(20)42(4,40)41)32(39)34-17-25-15-29-24(16-33-25)10-11-28(35-29)27-6-5-7-31(36-27)37-18-21(2)26(12-13-38)22(3)19-37/h5-11,14-16,21-22,26,38H,12-13,17-19H2,1-4H3,(H,34,39)/t21-,22+,26?.

What are the key properties of N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide?

N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide has a molecular weight of 587.75 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 176665510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).