N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C34H44N4O3 — CID 135330610

About N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 135330610) has the molecular formula C34H44N4O3 and a molecular weight of 556.75 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• PubChem CID: 135330610
• Molecular Formula: C34H44N4O3
• Molecular Weight: 556.75 g/mol
• Exact Mass: 556.34
• IUPAC Name: N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnc(N(C)C)nc4)c3)CC2)cc1C
• InChI: InChI=1S/C34H44N4O3/c1-23-18-28(14-17-32(23)41-4)25-10-8-24(9-11-25)22-38(33(40)26-12-15-31(39)16-13-26)30-7-5-6-27(19-30)29-20-35-34(36-21-29)37(2)3/h5-7,14,17-21,24-26,31,39H,8-13,15-16,22H2,1-4H3
• InChIKey: CHGXZQGMSKWHLZ-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 78.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.75
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The IUPAC name of N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 135330610) is N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnc(N(C)C)nc4)c3)CC2)cc1C.

What is the InChIKey of N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The InChIKey is CHGXZQGMSKWHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O3/c1-23-18-28(14-17-32(23)41-4)25-10-8-24(9-11-25)22-38(33(40)26-12-15-31(39)16-13-26)30-7-5-6-27(19-30)29-20-35-34(36-21-29)37(2)3/h5-7,14,17-21,24-26,31,39H,8-13,15-16,22H2,1-4H3.

What are the key properties of N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 556.75 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135330610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).