N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide

C22H30N6O3 — CID 110195537

About N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide

N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 110195537) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide
• PubChem CID: 110195537
• Molecular Formula: C22H30N6O3
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.24
• IUPAC Name: N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide
• SMILES: O=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1cnccn1
• InChI: InChI=1S/C22H30N6O3/c29-20-3-1-2-19-16-10-15(13-28(19)20)12-27(14-16)22(31)26-8-4-17(5-9-26)25-21(30)18-11-23-6-7-24-18/h6-7,11,15-17,19H,1-5,8-10,12-14H2,(H,25,30)/t15-,16-,19-/m1/s1
• InChIKey: DGQNLESKCGFIDH-GPMSIDNRSA-N
• XLogP: 1.12
• TPSA: 98.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 110195537) is N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1cnccn1.

What is the InChIKey of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide?

The InChIKey is DGQNLESKCGFIDH-GPMSIDNRSA-N. The full InChI is InChI=1S/C22H30N6O3/c29-20-3-1-2-19-16-10-15(13-28(19)20)12-27(14-16)22(31)26-8-4-17(5-9-26)25-21(30)18-11-23-6-7-24-18/h6-7,11,15-17,19H,1-5,8-10,12-14H2,(H,25,30)/t15-,16-,19-/m1/s1.

What are the key properties of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide?

N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 110195537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).