(4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide

C33H39N5O3 — CID 144928927

About (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide

(4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide (PubChem CID 144928927) has the molecular formula C33H39N5O3 and a molecular weight of 553.71 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide
• PubChem CID: 144928927
• Molecular Formula: C33H39N5O3
• Molecular Weight: 553.71 g/mol
• Exact Mass: 553.31
• IUPAC Name: (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccnc(OC3CCN(C)CC3)c2)c2cc(-c3cncc(N4CCOCC4)c3)ccc2[C@H](C)C1
• InChI: InChI=1S/C33H39N5O3/c1-22-16-23(2)32(33(39)36-26-6-9-35-31(19-26)41-28-7-10-37(3)11-8-28)30-18-24(4-5-29(22)30)25-17-27(21-34-20-25)38-12-14-40-15-13-38/h4-6,9,17-22,28H,7-8,10-16H2,1-3H3,(H,35,36,39)/t22-/m1/s1
• InChIKey: UPYHEEHUUCGLGO-JOCHJYFZSA-N
• XLogP: 5.37
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.71
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide?

The IUPAC name of (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide (CID 144928927) is (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide.

What is the SMILES notation for (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide?

The canonical SMILES for (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide is CC1=C(C(=O)Nc2ccnc(OC3CCN(C)CC3)c2)c2cc(-c3cncc(N4CCOCC4)c3)ccc2[C@H](C)C1.

What is the InChIKey of (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide?

The InChIKey is UPYHEEHUUCGLGO-JOCHJYFZSA-N. The full InChI is InChI=1S/C33H39N5O3/c1-22-16-23(2)32(33(39)36-26-6-9-35-31(19-26)41-28-7-10-37(3)11-8-28)30-18-24(4-5-29(22)30)25-17-27(21-34-20-25)38-12-14-40-15-13-38/h4-6,9,17-22,28H,7-8,10-16H2,1-3H3,(H,35,36,39)/t22-/m1/s1.

What are the key properties of (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide?

(4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide has a molecular weight of 553.71 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7-(5-morpholin-4-yl-3-pyridinyl)-3,4-dihydronaphthalene-1-carboxamide is sourced from PubChem (CID 144928927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).