(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide

C26H29N5O2 — CID 158533102

About (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158533102) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

• Compound Name: (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 158533102
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
• SMILES: Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4CC(N5CCOCC5)C[C@@H]34)ncc2c(N)n1
• InChI: InChI=1S/C26H29N5O2/c1-15-4-2-3-5-18(15)22-10-16-11-23(28-14-21(16)25(27)29-22)30-26(32)24-19-12-17(13-20(19)24)31-6-8-33-9-7-31/h2-5,10-11,14,17,19-20,24H,6-9,12-13H2,1H3,(H2,27,29)(H,28,30,32)/t17?,19-,20+,24?
• InChIKey: RBQDZPICKPNYLI-UHIRNXAASA-N
• XLogP: 3.48
• TPSA: 93.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide (CID 158533102) is (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide.

What is the SMILES notation for (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4CC(N5CCOCC5)C[C@@H]34)ncc2c(N)n1.

What is the InChIKey of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is RBQDZPICKPNYLI-UHIRNXAASA-N. The full InChI is InChI=1S/C26H29N5O2/c1-15-4-2-3-5-18(15)22-10-16-11-23(28-14-21(16)25(27)29-22)30-26(32)24-19-12-17(13-20(19)24)31-6-8-33-9-7-31/h2-5,10-11,14,17,19-20,24H,6-9,12-13H2,1H3,(H2,27,29)(H,28,30,32)/t17?,19-,20+,24?.

What are the key properties of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide?

(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158533102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).