N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide

C32H38N4O3 — CID 143660060

About N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide

N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 143660060) has the molecular formula C32H38N4O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 143660060
• Molecular Formula: C32H38N4O3
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.29
• IUPAC Name: N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: C=CNC.Cn1cccc(C(=O)NC2CCN(C(=O)[C@H]3CC[C@@H](c4ccccc4)c4ccccc43)CC2)c1=O
• InChI: InChI=1S/C29H31N3O3.C3H7N/c1-31-17-7-12-26(28(31)34)27(33)30-21-15-18-32(19-16-21)29(35)25-14-13-22(20-8-3-2-4-9-20)23-10-5-6-11-24(23)25;1-3-4-2/h2-12,17,21-22,25H,13-16,18-19H2,1H3,(H,30,33);3-4H,1H2,2H3/t22-,25-;/m0./s1
• InChIKey: MOGHSJSZQUIDNG-YSCHMLPRSA-N
• XLogP: 4.16
• TPSA: 83.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide (CID 143660060) is N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide is C=CNC.Cn1cccc(C(=O)NC2CCN(C(=O)[C@H]3CC[C@@H](c4ccccc4)c4ccccc43)CC2)c1=O.

What is the InChIKey of N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is MOGHSJSZQUIDNG-YSCHMLPRSA-N. The full InChI is InChI=1S/C29H31N3O3.C3H7N/c1-31-17-7-12-26(28(31)34)27(33)30-21-15-18-32(19-16-21)29(35)25-14-13-22(20-8-3-2-4-9-20)23-10-5-6-11-24(23)25;1-3-4-2/h2-12,17,21-22,25H,13-16,18-19H2,1H3,(H,30,33);3-4H,1H2,2H3/t22-,25-;/m0./s1.

What are the key properties of N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide?

N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 526.68 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143660060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).