N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide

C29H39N3O3 — CID 59505776

About N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide

N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 59505776) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide
• PubChem CID: 59505776
• Molecular Formula: C29H39N3O3
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.30
• IUPAC Name: N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide
• SMILES: CC1(CNCc2ccc3c(c2)CC[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cn2)C3)CCCC1
• InChI: InChI=1S/C29H39N3O3/c1-29(12-2-3-13-29)20-30-17-21-6-7-23-16-24(9-8-22(23)15-21)32-28(33)27-11-10-25(18-31-27)35-19-26-5-4-14-34-26/h6-7,10-11,15,18,24,26,30H,2-5,8-9,12-14,16-17,19-20H2,1H3,(H,32,33)/t24-,26-/m0/s1
• InChIKey: PXUDIBHDZDGUPZ-AHWVRZQESA-N
• XLogP: 4.60
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide?

The IUPAC name of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide (CID 59505776) is N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide?

The canonical SMILES for N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide is CC1(CNCc2ccc3c(c2)CC[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cn2)C3)CCCC1.

What is the InChIKey of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide?

The InChIKey is PXUDIBHDZDGUPZ-AHWVRZQESA-N. The full InChI is InChI=1S/C29H39N3O3/c1-29(12-2-3-13-29)20-30-17-21-6-7-23-16-24(9-8-22(23)15-21)32-28(33)27-11-10-25(18-31-27)35-19-26-5-4-14-34-26/h6-7,10-11,15,18,24,26,30H,2-5,8-9,12-14,16-17,19-20H2,1H3,(H,32,33)/t24-,26-/m0/s1.

What are the key properties of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide?

N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 477.65 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 59505776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).