6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

C32H42ClF2N5O2 — CID 59458210

IUPAC6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cc(F)ccc2F)CC1
InChIInChI=1S/C32H42ClF2N5O2/c1-20-17-29(33)37-22(3)30(20)31(41)36-14-11-21(2)38-15-12-25(13-16-38)40-28(26-18-23(34)9-10-27(26)35)19-39(32(40)42)24-7-5-4-6-8-24/h9-10,17-18,21,24-25,28H,4-8,11-16,19H2,1-3H3,(H,36,41)
InChIKeyYMPUOGLUSPBWQL-UHFFFAOYSA-N
MW602.17 g/mol
LogP6.41
Rot. Bonds8

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

6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 59458210) has the molecular formula C32H42ClF2N5O2 and a molecular weight of 602.17 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
PubChem CID59458210
Molecular FormulaC32H42ClF2N5O2
Molecular Weight602.17 g/mol
Exact Mass601.30
IUPAC Name6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cc(F)ccc2F)CC1
InChIInChI=1S/C32H42ClF2N5O2/c1-20-17-29(33)37-22(3)30(20)31(41)36-14-11-21(2)38-15-12-25(13-16-38)40-28(26-18-23(34)9-10-27(26)35)19-39(32(40)42)24-7-5-4-6-8-24/h9-10,17-18,21,24-25,28H,4-8,11-16,19H2,1-3H3,(H,36,41)
InChIKeyYMPUOGLUSPBWQL-UHFFFAOYSA-N
XLogP6.41
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.17
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (CID 59458210) is 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cc(F)ccc2F)CC1.
What is the InChIKey of 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is YMPUOGLUSPBWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42ClF2N5O2/c1-20-17-29(33)37-22(3)30(20)31(41)36-14-11-21(2)38-15-12-25(13-16-38)40-28(26-18-23(34)9-10-27(26)35)19-39(32(40)42)24-7-5-4-6-8-24/h9-10,17-18,21,24-25,28H,4-8,11-16,19H2,1-3H3,(H,36,41).
What are the key properties of 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 602.17 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[4-[3-cyclohexyl-5-(2,5-difluorophenyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 59458210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).