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

C32H44ClN5O2 — CID 72714079

IUPAC6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28-/m0/s1
InChIKeyFPBBMOPREIDYGA-FIPFOOKPSA-N
MW566.19 g/mol
LogP6.14
Rot. Bonds8

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

6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 72714079) has the molecular formula C32H44ClN5O2 and a molecular weight of 566.19 g/mol. Its IUPAC name is 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
PubChem CID72714079
Molecular FormulaC32H44ClN5O2
Molecular Weight566.19 g/mol
Exact Mass565.32
IUPAC Name6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28-/m0/s1
InChIKeyFPBBMOPREIDYGA-FIPFOOKPSA-N
XLogP6.14
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.19
LogP ≤ 56.14
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-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (CID 72714079) is 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is FPBBMOPREIDYGA-FIPFOOKPSA-N. The full InChI is InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28-/m0/s1.
What are the key properties of 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 566.19 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 72714079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).