N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide

C26H35N7O2 — CID 154650178

About N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide

N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide (PubChem CID 154650178) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide
• PubChem CID: 154650178
• Molecular Formula: C26H35N7O2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.29
• IUPAC Name: N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide
• SMILES: NCC1C2CN(CCc3ccc(-n4ccc(NC(=O)N5CCC6(CCNC6)C5)nc4=O)cc3)CC12
• InChI: InChI=1S/C26H35N7O2/c27-13-20-21-14-31(15-22(20)21)10-5-18-1-3-19(4-2-18)33-11-6-23(30-25(33)35)29-24(34)32-12-8-26(17-32)7-9-28-16-26/h1-4,6,11,20-22,28H,5,7-10,12-17,27H2,(H,29,30,34,35)
• InChIKey: XSPUMJKDXDTNRZ-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 108.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide?

The IUPAC name of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide (CID 154650178) is N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide.

What is the SMILES notation for N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide?

The canonical SMILES for N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide is NCC1C2CN(CCc3ccc(-n4ccc(NC(=O)N5CCC6(CCNC6)C5)nc4=O)cc3)CC12.

What is the InChIKey of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide?

The InChIKey is XSPUMJKDXDTNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2/c27-13-20-21-14-31(15-22(20)21)10-5-18-1-3-19(4-2-18)33-11-6-23(30-25(33)35)29-24(34)32-12-8-26(17-32)7-9-28-16-26/h1-4,6,11,20-22,28H,5,7-10,12-17,27H2,(H,29,30,34,35).

What are the key properties of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide?

N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 154650178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).