N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride

C23H32ClN7O2 — CID 175922007

About N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride

N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride (PubChem CID 175922007) has the molecular formula C23H32ClN7O2 and a molecular weight of 474.01 g/mol. Its IUPAC name is N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
• PubChem CID: 175922007
• Molecular Formula: C23H32ClN7O2
• Molecular Weight: 474.01 g/mol
• Exact Mass: 473.23
• IUPAC Name: N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
• SMILES: Cl.NCC1CN(C2CCc3ccc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)cc3C2)C1
• InChI: InChI=1S/C23H31N7O2.ClH/c24-13-16-14-29(15-16)19-3-1-17-2-4-20(12-18(17)11-19)30-8-5-21(27-23(30)32)26-22(31)28-9-6-25-7-10-28;/h2,4-5,8,12,16,19,25H,1,3,6-7,9-11,13-15,24H2,(H,26,27,31,32);1H
• InChIKey: BQAJOHJGSDLYBQ-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 108.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.01
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?

The IUPAC name of N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride (CID 175922007) is N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride.

What is the SMILES notation for N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?

The canonical SMILES for N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride is Cl.NCC1CN(C2CCc3ccc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)cc3C2)C1.

What is the InChIKey of N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?

The InChIKey is BQAJOHJGSDLYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2.ClH/c24-13-16-14-29(15-16)19-3-1-17-2-4-20(12-18(17)11-19)30-8-5-21(27-23(30)32)26-22(31)28-9-6-25-7-10-28;/h2,4-5,8,12,16,19,25H,1,3,6-7,9-11,13-15,24H2,(H,26,27,31,32);1H.

What are the key properties of N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?

N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 474.01 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 175922007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).