N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide

C35H47N5O4 — CID 140655145

About N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide

N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide (PubChem CID 140655145) has the molecular formula C35H47N5O4 and a molecular weight of 601.79 g/mol. Its IUPAC name is N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
• PubChem CID: 140655145
• Molecular Formula: C35H47N5O4
• Molecular Weight: 601.79 g/mol
• Exact Mass: 601.36
• IUPAC Name: N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
• SMILES: CCCc1cc(C)[nH]c(=O)c1Cc1nc(CN2CCOCC2)c(NC2CCOC(CC)C2)c(C)c1NC(=O)c1ccccc1
• InChI: InChI=1S/C35H47N5O4/c1-5-10-26-19-23(3)36-35(42)29(26)21-30-32(39-34(41)25-11-8-7-9-12-25)24(4)33(37-27-13-16-44-28(6-2)20-27)31(38-30)22-40-14-17-43-18-15-40/h7-9,11-12,19,27-28,37H,5-6,10,13-18,20-22H2,1-4H3,(H,36,42)(H,39,41)
• InChIKey: MSIXULVUCBPRRK-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 108.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.79
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?

The IUPAC name of N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide (CID 140655145) is N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide.

What is the SMILES notation for N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?

The canonical SMILES for N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide is CCCc1cc(C)[nH]c(=O)c1Cc1nc(CN2CCOCC2)c(NC2CCOC(CC)C2)c(C)c1NC(=O)c1ccccc1.

What is the InChIKey of N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?

The InChIKey is MSIXULVUCBPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N5O4/c1-5-10-26-19-23(3)36-35(42)29(26)21-30-32(39-34(41)25-11-8-7-9-12-25)24(4)33(37-27-13-16-44-28(6-2)20-27)31(38-30)22-40-14-17-43-18-15-40/h7-9,11-12,19,27-28,37H,5-6,10,13-18,20-22H2,1-4H3,(H,36,42)(H,39,41).

What are the key properties of N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?

N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide has a molecular weight of 601.79 g/mol, XLogP of 5.38, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-ethyloxan-4-yl)amino]-4-methyl-2-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 140655145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).