6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

C30H40ClN5O2 — CID 59458103

IUPAC6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1
InChIKeyBUQGFMHFSZHCHF-UQTORGHUSA-N
MW538.14 g/mol
LogP5.36
Rot. Bonds8

About 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 59458103) has the molecular formula C30H40ClN5O2 and a molecular weight of 538.14 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
PubChem CID59458103
Molecular FormulaC30H40ClN5O2
Molecular Weight538.14 g/mol
Exact Mass537.29
IUPAC Name6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1
InChIKeyBUQGFMHFSZHCHF-UQTORGHUSA-N
XLogP5.36
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.14
LogP ≤ 55.36
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-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (CID 59458103) is 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is BUQGFMHFSZHCHF-UQTORGHUSA-N. The full InChI is InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1.
What are the key properties of 6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
6-chloro-N-[3-[4-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 538.14 g/mol, XLogP of 5.36, 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-[(5R)-3-cyclobutyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 59458103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).