6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide

C26H32N10O3 — CID 121409303

About 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide

6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide (PubChem CID 121409303) has the molecular formula C26H32N10O3 and a molecular weight of 532.61 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide
• PubChem CID: 121409303
• Molecular Formula: C26H32N10O3
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.27
• IUPAC Name: 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide
• SMILES: CCNC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)nn4)cnc3N)CC2)nc(OC[C@H]2C[C@H]2C#N)n1
• InChI: InChI=1S/C26H32N10O3/c1-3-29-25(37)20-10-23(32-26(31-20)39-15-19-8-17(19)11-27)36-6-4-16(5-7-36)14-38-22-9-18(12-30-24(22)28)21-13-35(2)34-33-21/h9-10,12-13,16-17,19H,3-8,14-15H2,1-2H3,(H2,28,30)(H,29,37)/t17-,19+/m0/s1
• InChIKey: JOUJSCBJGOKPIC-PKOBYXMFSA-N
• XLogP: 1.83
• TPSA: 169.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide?

The IUPAC name of 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide (CID 121409303) is 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide.

What is the SMILES notation for 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide?

The canonical SMILES for 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide is CCNC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)nn4)cnc3N)CC2)nc(OC[C@H]2C[C@H]2C#N)n1.

What is the InChIKey of 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide?

The InChIKey is JOUJSCBJGOKPIC-PKOBYXMFSA-N. The full InChI is InChI=1S/C26H32N10O3/c1-3-29-25(37)20-10-23(32-26(31-20)39-15-19-8-17(19)11-27)36-6-4-16(5-7-36)14-38-22-9-18(12-30-24(22)28)21-13-35(2)34-33-21/h9-10,12-13,16-17,19H,3-8,14-15H2,1-2H3,(H2,28,30)(H,29,37)/t17-,19+/m0/s1.

What are the key properties of 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide?

6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide has a molecular weight of 532.61 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 121409303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).