N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide

C32H43N7O2 — CID 72711049

IUPACN-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1
InChIInChI=1S/C32H43N7O2/c1-22(12-15-34-31(40)30-23(2)35-21-36-24(30)3)37-16-13-28(14-17-37)39-29(26-9-7-8-25(18-26)19-33)20-38(32(39)41)27-10-5-4-6-11-27/h7-9,18,21-22,27-29H,4-6,10-17,20H2,1-3H3,(H,34,40)
InChIKeyMBWNJJUXRXDXKX-UHFFFAOYSA-N
MW557.74 g/mol
LogP4.75
Rot. Bonds8

About N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide

N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 72711049) has the molecular formula C32H43N7O2 and a molecular weight of 557.74 g/mol. Its IUPAC name is N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID72711049
Molecular FormulaC32H43N7O2
Molecular Weight557.74 g/mol
Exact Mass557.35
IUPAC NameN-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1
InChIInChI=1S/C32H43N7O2/c1-22(12-15-34-31(40)30-23(2)35-21-36-24(30)3)37-16-13-28(14-17-37)39-29(26-9-7-8-25(18-26)19-33)20-38(32(39)41)27-10-5-4-6-11-27/h7-9,18,21-22,27-29H,4-6,10-17,20H2,1-3H3,(H,34,40)
InChIKeyMBWNJJUXRXDXKX-UHFFFAOYSA-N
XLogP4.75
TPSA105.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.74
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (CID 72711049) is N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1.
What is the InChIKey of N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is MBWNJJUXRXDXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O2/c1-22(12-15-34-31(40)30-23(2)35-21-36-24(30)3)37-16-13-28(14-17-37)39-29(26-9-7-8-25(18-26)19-33)20-38(32(39)41)27-10-5-4-6-11-27/h7-9,18,21-22,27-29H,4-6,10-17,20H2,1-3H3,(H,34,40).
What are the key properties of N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 557.74 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-(3-cyanophenyl)-3-cyclohexyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72711049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).