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

C32H39ClN6O2 — CID 72711955

IUPAC6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-12-23(2)37-17-13-27(14-18-37)39-28(25-9-5-4-6-10-25)21-38(32(39)41)20-26-11-7-8-15-34-26/h4-11,15,19,23,27-28H,12-14,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
InChIKeyVLCNIWNAFVRZRX-WOKNPCPGSA-N
MW575.16 g/mol
LogP5.40
Rot. Bonds9

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

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 72711955) has the molecular formula C32H39ClN6O2 and a molecular weight of 575.16 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-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-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID72711955
Molecular FormulaC32H39ClN6O2
Molecular Weight575.16 g/mol
Exact Mass574.28
IUPAC Name6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-12-23(2)37-17-13-27(14-18-37)39-28(25-9-5-4-6-10-25)21-38(32(39)41)20-26-11-7-8-15-34-26/h4-11,15,19,23,27-28H,12-14,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
InChIKeyVLCNIWNAFVRZRX-WOKNPCPGSA-N
XLogP5.40
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.16
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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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-(pyridin-2-ylmethyl)imidazolidin-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-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 72711955) is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-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-(pyridin-2-ylmethyl)imidazolidin-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-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is VLCNIWNAFVRZRX-WOKNPCPGSA-N. The full InChI is InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-12-23(2)37-17-13-27(14-18-37)39-28(25-9-5-4-6-10-25)21-38(32(39)41)20-26-11-7-8-15-34-26/h4-11,15,19,23,27-28H,12-14,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1.
What are the key properties of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 575.16 g/mol, XLogP of 5.40, 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)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 72711955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).