N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C18H24N2O3 — CID 124618001

About N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 124618001) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 124618001
• Molecular Formula: C18H24N2O3
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.18
• IUPAC Name: N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: COCC1=CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1
• InChI: InChI=1S/C18H24N2O3/c1-22-13-14-6-9-20(10-7-14)18(21)19-12-15-8-11-23-17-5-3-2-4-16(15)17/h2-6,15H,7-13H2,1H3,(H,19,21)/t15-/m0/s1
• InChIKey: MXSZPWMTULTCPG-HNNXBMFYSA-N
• XLogP: 2.54
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.40
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 124618001) is N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COCC1=CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1.

What is the InChIKey of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is MXSZPWMTULTCPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-22-13-14-6-9-20(10-7-14)18(21)19-12-15-8-11-23-17-5-3-2-4-16(15)17/h2-6,15H,7-13H2,1H3,(H,19,21)/t15-/m0/s1.

What are the key properties of N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?

N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 124618001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).