N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide

C26H27N5O6S — CID 169147027

About N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide (PubChem CID 169147027) has the molecular formula C26H27N5O6S and a molecular weight of 537.60 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
• PubChem CID: 169147027
• Molecular Formula: C26H27N5O6S
• Molecular Weight: 537.60 g/mol
• Exact Mass: 537.17
• IUPAC Name: N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
• SMILES: Cn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc2ccnc(OCC3(S(=O)(=O)N4CC[C@@H](O)C4)CC3)c21
• InChI: InChI=1S/C26H27N5O6S/c1-30-22-19(12-21(25(30)34)23(33)29-14-18-4-2-17(13-27)3-5-18)6-10-28-24(22)37-16-26(8-9-26)38(35,36)31-11-7-20(32)15-31/h2-6,10,12,20,32H,7-9,11,14-16H2,1H3,(H,29,33)/t20-/m1/s1
• InChIKey: FSNMOVPYMGBCRX-HXUWFJFHSA-N
• XLogP: 1.04
• TPSA: 154.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.60
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?

The IUPAC name of N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide (CID 169147027) is N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?

The canonical SMILES for N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc2ccnc(OCC3(S(=O)(=O)N4CC[C@@H](O)C4)CC3)c21.

What is the InChIKey of N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?

The InChIKey is FSNMOVPYMGBCRX-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H27N5O6S/c1-30-22-19(12-21(25(30)34)23(33)29-14-18-4-2-17(13-27)3-5-18)6-10-28-24(22)37-16-26(8-9-26)38(35,36)31-11-7-20(32)15-31/h2-6,10,12,20,32H,7-9,11,14-16H2,1H3,(H,29,33)/t20-/m1/s1.

What are the key properties of N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?

N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide has a molecular weight of 537.60 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169147027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).