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

C31H45N7O2 — CID 72711281

IUPACN-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1
InChIInChI=1S/C31H45N7O2/c1-21-9-8-12-27(35-21)28-19-37(25-10-6-5-7-11-25)31(40)38(28)26-14-17-36(18-15-26)22(2)13-16-32-30(39)29-23(3)33-20-34-24(29)4/h8-9,12,20,22,25-26,28H,5-7,10-11,13-19H2,1-4H3,(H,32,39)
InChIKeyRTYGTGBSHLMYRK-UHFFFAOYSA-N
MW547.75 g/mol
LogP4.58
Rot. Bonds8

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

N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 72711281) has the molecular formula C31H45N7O2 and a molecular weight of 547.75 g/mol. Its IUPAC name is N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID72711281
Molecular FormulaC31H45N7O2
Molecular Weight547.75 g/mol
Exact Mass547.36
IUPAC NameN-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1
InChIInChI=1S/C31H45N7O2/c1-21-9-8-12-27(35-21)28-19-37(25-10-6-5-7-11-25)31(40)38(28)26-14-17-36(18-15-26)22(2)13-16-32-30(39)29-23(3)33-20-34-24(29)4/h8-9,12,20,22,25-26,28H,5-7,10-11,13-19H2,1-4H3,(H,32,39)
InChIKeyRTYGTGBSHLMYRK-UHFFFAOYSA-N
XLogP4.58
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.75
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (CID 72711281) is N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1.
What is the InChIKey of N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is RTYGTGBSHLMYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N7O2/c1-21-9-8-12-27(35-21)28-19-37(25-10-6-5-7-11-25)31(40)38(28)26-14-17-36(18-15-26)22(2)13-16-32-30(39)29-23(3)33-20-34-24(29)4/h8-9,12,20,22,25-26,28H,5-7,10-11,13-19H2,1-4H3,(H,32,39).
What are the key properties of N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?
N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 547.75 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-cyclohexyl-5-(6-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72711281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).