2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide

C27H23ClF2N4O2 — CID 142793687

IUPAC2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(C)c3ccc(F)cc3)c(C(C(N)=O)c3ccc(Cl)nc3)cc2F)cn1
InChIInChI=1S/C27H23ClF2N4O2/c1-15(16-3-7-19(29)8-4-16)34-23-12-20(17-6-10-25(36-2)33-13-17)22(30)11-21(23)26(27(31)35)18-5-9-24(28)32-14-18/h3-15,26,34H,1-2H3,(H2,31,35)
InChIKeyJUDDSXBTZDUTBN-UHFFFAOYSA-N
MW508.96 g/mol
LogP5.87
Rot. Bonds8

About 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide

2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide (PubChem CID 142793687) has the molecular formula C27H23ClF2N4O2 and a molecular weight of 508.96 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide
PubChem CID142793687
Molecular FormulaC27H23ClF2N4O2
Molecular Weight508.96 g/mol
Exact Mass508.15
IUPAC Name2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(C)c3ccc(F)cc3)c(C(C(N)=O)c3ccc(Cl)nc3)cc2F)cn1
InChIInChI=1S/C27H23ClF2N4O2/c1-15(16-3-7-19(29)8-4-16)34-23-12-20(17-6-10-25(36-2)33-13-17)22(30)11-21(23)26(27(31)35)18-5-9-24(28)32-14-18/h3-15,26,34H,1-2H3,(H2,31,35)
InChIKeyJUDDSXBTZDUTBN-UHFFFAOYSA-N
XLogP5.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.96
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide with MolForge

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Related Compounds

4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide
CID 164609257
4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
CID 164618143
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
CID 164622087
7-[(3-Chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 71566128
US11319299, Example 251
CID 137376846
(2S,3S)-2-amino-3-(4-chlorophenyl)-N-[2-[2-[(2S,6S)-1-cyclopropylsulfonyl-6-methyl-piperazin-2-yl]ethyl]-3-fluoro-phenyl]-3-(6-methoxy-3-pyridyl)propanamide
CID 117853043
(2S,3S)-2-amino-3-(4-chlorophenyl)-N-[3-fluoro-2-[2-[(2S,6S)-6-methyl-1-methylsulfonyl-piperazin-2-yl]ethyl]phenyl]-3-(6-methoxy-3-pyridyl)propanamide
CID 117853050
methyl N-[(1S)-1-[(S)-(4-chlorophenyl)-(6-methoxy-3-pyridyl)methyl]-2-[3-fluoro-2-[2-[(2S,6S)-6-methyl-1-methylsulfonyl-piperazin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate
CID 117853051
(2S,3S)-2-amino-3-(4-chlorophenyl)-N-[2-[2-[(2S,6R)-1-cyclopropylsulfonyl-6-methyl-piperazin-2-yl]ethyl]-3-fluoro-phenyl]-3-(6-methoxy-3-pyridyl)propanamide
CID 117853210
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-[6-(difluoromethoxy)-3-pyridinyl]-2-methylpropanamide
CID 176846756
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 176846877
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide
CID 11595921

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide (CID 142793687) is 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide is COc1ccc(-c2cc(NC(C)c3ccc(F)cc3)c(C(C(N)=O)c3ccc(Cl)nc3)cc2F)cn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide?
The InChIKey is JUDDSXBTZDUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF2N4O2/c1-15(16-3-7-19(29)8-4-16)34-23-12-20(17-6-10-25(36-2)33-13-17)22(30)11-21(23)26(27(31)35)18-5-9-24(28)32-14-18/h3-15,26,34H,1-2H3,(H2,31,35).
What are the key properties of 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide?
2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide has a molecular weight of 508.96 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-2-[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(6-methoxy-3-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 142793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).