cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C23H23N5O2 — CID 157087111

About cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 157087111) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
• PubChem CID: 157087111
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
• SMILES: CC(C)(O)Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1
• InChI: InChI=1S/C23H23N5O2/c1-23(2,30)10-13-5-3-4-6-16(13)19-8-14-9-20(26-12-18(14)21(25)27-19)28-22(29)17-7-15(17)11-24/h3-6,8-9,12,15,17,30H,7,10H2,1-2H3,(H2,25,27)(H,26,28,29)/t15-,17+/m0/s1
• InChIKey: ILTWALFLKLZWEY-DOTOQJQBSA-N
• XLogP: 3.29
• TPSA: 124.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 157087111) is cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is CC(C)(O)Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.

What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The InChIKey is ILTWALFLKLZWEY-DOTOQJQBSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-23(2,30)10-13-5-3-4-6-16(13)19-8-14-9-20(26-12-18(14)21(25)27-19)28-22(29)17-7-15(17)11-24/h3-6,8-9,12,15,17,30H,7,10H2,1-2H3,(H2,25,27)(H,26,28,29)/t15-,17+/m0/s1.

What are the key properties of cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?

cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 157087111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).