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

C28H38ClN5O2 — CID 72711506

IUPAC6-chloro-N-[3-[4-[(5R)-3-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O
InChIInChI=1S/C28H38ClN5O2/c1-5-32-18-24(22-9-7-6-8-10-22)34(28(32)36)23-12-15-33(16-13-23)20(3)11-14-30-27(35)26-19(2)17-25(29)31-21(26)4/h6-10,17,20,23-24H,5,11-16,18H2,1-4H3,(H,30,35)/t20?,24-/m0/s1
InChIKeyKADVKYIYVIUTGN-JWIMYKKASA-N
MW512.10 g/mol
LogP4.82
Rot. Bonds8

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

6-chloro-N-[3-[4-[(5R)-3-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 72711506) has the molecular formula C28H38ClN5O2 and a molecular weight of 512.10 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-[(5R)-3-ethyl-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-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
PubChem CID72711506
Molecular FormulaC28H38ClN5O2
Molecular Weight512.10 g/mol
Exact Mass511.27
IUPAC Name6-chloro-N-[3-[4-[(5R)-3-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O
InChIInChI=1S/C28H38ClN5O2/c1-5-32-18-24(22-9-7-6-8-10-22)34(28(32)36)23-12-15-33(16-13-23)20(3)11-14-30-27(35)26-19(2)17-25(29)31-21(26)4/h6-10,17,20,23-24H,5,11-16,18H2,1-4H3,(H,30,35)/t20?,24-/m0/s1
InChIKeyKADVKYIYVIUTGN-JWIMYKKASA-N
XLogP4.82
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.10
LogP ≤ 54.82
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-ethyl-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-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (CID 72711506) is 6-chloro-N-[3-[4-[(5R)-3-ethyl-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-ethyl-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-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is CCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O.
What is the InChIKey of 6-chloro-N-[3-[4-[(5R)-3-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is KADVKYIYVIUTGN-JWIMYKKASA-N. The full InChI is InChI=1S/C28H38ClN5O2/c1-5-32-18-24(22-9-7-6-8-10-22)34(28(32)36)23-12-15-33(16-13-23)20(3)11-14-30-27(35)26-19(2)17-25(29)31-21(26)4/h6-10,17,20,23-24H,5,11-16,18H2,1-4H3,(H,30,35)/t20?,24-/m0/s1.
What are the key properties of 6-chloro-N-[3-[4-[(5R)-3-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
6-chloro-N-[3-[4-[(5R)-3-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 512.10 g/mol, XLogP of 4.82, 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-ethyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 72711506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).