N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide

C19H22N6O2 — CID 70773403

About N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70773403) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
• PubChem CID: 70773403
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
• SMILES: Cn1c(CN2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)nc2ccccc21
• InChI: InChI=1S/C19H22N6O2/c1-24-16-5-3-2-4-13(16)22-18(24)12-25-9-6-14(17(26)11-25)23-19(27)15-10-20-7-8-21-15/h2-5,7-8,10,14,17,26H,6,9,11-12H2,1H3,(H,23,27)/t14-,17-/m1/s1
• InChIKey: UDHIAOIPVNANSI-RHSMWYFYSA-N
• XLogP: 0.73
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 70773403) is N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide is Cn1c(CN2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)nc2ccccc21.

What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

The InChIKey is UDHIAOIPVNANSI-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24-16-5-3-2-4-13(16)22-18(24)12-25-9-6-14(17(26)11-25)23-19(27)15-10-20-7-8-21-15/h2-5,7-8,10,14,17,26H,6,9,11-12H2,1H3,(H,23,27)/t14-,17-/m1/s1.

What are the key properties of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide?

N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70773403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).