N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane

C38H55N5O3 — CID 162283960

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane (PubChem CID 162283960) has the molecular formula C38H55N5O3 and a molecular weight of 629.89 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane
• PubChem CID: 162283960
• Molecular Formula: C38H55N5O3
• Molecular Weight: 629.89 g/mol
• Exact Mass: 629.43
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane
• SMILES: CC.CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCC(NC)CC1
• InChI: InChI=1S/C36H49N5O3.C2H6/c1-6-41(31-13-11-30(37-5)12-14-31)34-21-29(28-9-7-27(8-10-28)23-40-15-17-44-18-16-40)20-32(26(34)4)35(42)38-22-33-24(2)19-25(3)39-36(33)43;1-2/h7-10,19-21,30-31,33,37H,6,11-18,22-23H2,1-5H3,(H,38,42);1-2H3
• InChIKey: HOGGAMIPTGIUGU-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 86.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.89
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane (CID 162283960) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane is CC.CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCC(NC)CC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane?

The InChIKey is HOGGAMIPTGIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49N5O3.C2H6/c1-6-41(31-13-11-30(37-5)12-14-31)34-21-29(28-9-7-27(8-10-28)23-40-15-17-44-18-16-40)20-32(26(34)4)35(42)38-22-33-24(2)19-25(3)39-36(33)43;1-2/h7-10,19-21,30-31,33,37H,6,11-18,22-23H2,1-5H3,(H,38,42);1-2H3.

What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane?

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane has a molecular weight of 629.89 g/mol, XLogP of 6.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane is sourced from PubChem (CID 162283960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).