4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide

C26H28ClFN4O2 — CID 58020110

IUPAC4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1
InChIInChI=1S/C26H28ClFN4O2/c1-3-29-26(33)32-13-11-31(12-14-32)23-10-7-18(17-30-23)15-20-8-9-22(34-2)24(25(20)28)19-5-4-6-21(27)16-19/h4-10,16-17H,3,11-15H2,1-2H3,(H,29,33)
InChIKeyVFYDCKLZEZUYAU-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.99
Rot. Bonds6

About 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide

4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 58020110) has the molecular formula C26H28ClFN4O2 and a molecular weight of 482.99 g/mol. Its IUPAC name is 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
PubChem CID58020110
Molecular FormulaC26H28ClFN4O2
Molecular Weight482.99 g/mol
Exact Mass482.19
IUPAC Name4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1
InChIInChI=1S/C26H28ClFN4O2/c1-3-29-26(33)32-13-11-31(12-14-32)23-10-7-18(17-30-23)15-20-8-9-22(34-2)24(25(20)28)19-5-4-6-21(27)16-19/h4-10,16-17H,3,11-15H2,1-2H3,(H,29,33)
InChIKeyVFYDCKLZEZUYAU-UHFFFAOYSA-N
XLogP4.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide with MolForge

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimethoxyphenyl)ethyl]urea
CID 469201
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea
CID 475283
N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996135
Cdk-IN-2
CID 50991505
cis-(1S,3R)-3-acetamido-N-[5-chloro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 156492051
4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
(R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)pyridin-2-yl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)acetamide
CID 16038316
4-Tert-butylphenyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
CID 46879825
Biphenyl-3-yl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
CID 46879880
1-[4-(2-Fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea
CID 56678997
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 71458755

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide (CID 58020110) is 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1.
What is the InChIKey of 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is VFYDCKLZEZUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN4O2/c1-3-29-26(33)32-13-11-31(12-14-32)23-10-7-18(17-30-23)15-20-8-9-22(34-2)24(25(20)28)19-5-4-6-21(27)16-19/h4-10,16-17H,3,11-15H2,1-2H3,(H,29,33).
What are the key properties of 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 482.99 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 58020110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).