6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

C33H41ClN6O2 — CID 72711956

IUPAC6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O
InChIInChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/t24?,29-/m0/s1
InChIKeyGLPOBUHYQIRJAI-PEFOLFAWSA-N
MW589.18 g/mol
LogP5.71
Rot. Bonds9

About 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 72711956) has the molecular formula C33H41ClN6O2 and a molecular weight of 589.18 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID72711956
Molecular FormulaC33H41ClN6O2
Molecular Weight589.18 g/mol
Exact Mass588.30
IUPAC Name6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O
InChIInChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/t24?,29-/m0/s1
InChIKeyGLPOBUHYQIRJAI-PEFOLFAWSA-N
XLogP5.71
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.18
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 72711956) is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O.
What is the InChIKey of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is GLPOBUHYQIRJAI-PEFOLFAWSA-N. The full InChI is InChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/t24?,29-/m0/s1.
What are the key properties of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 589.18 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 72711956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).