6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

C29H40ClN5O2 — CID 59458213

IUPAC6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1
InChIKeyLTECMHSUEOHWDT-QBGQUKIHSA-N
MW526.13 g/mol
LogP5.21
Rot. Bonds8

About 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 59458213) has the molecular formula C29H40ClN5O2 and a molecular weight of 526.13 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID59458213
Molecular FormulaC29H40ClN5O2
Molecular Weight526.13 g/mol
Exact Mass525.29
IUPAC Name6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1
InChIKeyLTECMHSUEOHWDT-QBGQUKIHSA-N
XLogP5.21
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.13
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 59458213) is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is LTECMHSUEOHWDT-QBGQUKIHSA-N. The full InChI is InChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1.
What are the key properties of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 526.13 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 59458213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).