tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate

C24H24ClF2N3O2 — CID 174161946

IUPACtert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
SMILESCc1c(Cc2ccc(Cl)cc2F)cncc1Cc1ccnc(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C24H24ClF2N3O2/c1-14-17(9-15-5-6-19(25)11-20(15)26)12-28-13-18(14)10-16-7-8-29-22(21(16)27)30-23(31)32-24(2,3)4/h5-8,11-13H,9-10H2,1-4H3,(H,29,30,31)
InChIKeyGVNWWGWVFNPVQJ-UHFFFAOYSA-N
MW459.92 g/mol
LogP6.25
Rot. Bonds5

About tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate

tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate (PubChem CID 174161946) has the molecular formula C24H24ClF2N3O2 and a molecular weight of 459.92 g/mol. Its IUPAC name is tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
PubChem CID174161946
Molecular FormulaC24H24ClF2N3O2
Molecular Weight459.92 g/mol
Exact Mass459.15
IUPAC Nametert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
SMILESCc1c(Cc2ccc(Cl)cc2F)cncc1Cc1ccnc(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C24H24ClF2N3O2/c1-14-17(9-15-5-6-19(25)11-20(15)26)12-28-13-18(14)10-16-7-8-29-22(21(16)27)30-23(31)32-24(2,3)4/h5-8,11-13H,9-10H2,1-4H3,(H,29,30,31)
InChIKeyGVNWWGWVFNPVQJ-UHFFFAOYSA-N
XLogP6.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.92
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate with MolForge

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Related Compounds

[4-[[5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161657
tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate
CID 122696483
4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161455
tert-butyl N-[3-[(2-fluorophenyl)methyl]-5-formyl-2-pyridinyl]carbamate
CID 141299051
N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
CID 174161802
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
[4-[[3-(4-chloro-2-fluoroanilino)-2-methylphenyl]methyl]-3-fluoro-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161821
4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine
CID 174161442
tert-butyl N-[3-fluoro-4-[[5-[2-fluoro-4-(trifluoromethyl)anilino]-4-methyl-3-pyridinyl]methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161497
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883
tert-butyl N-[5-chloro-2-(hydroxymethyl)phenyl]carbamate
CID 117236586
tert-butyl N-[3-fluoro-4-[[5-(2-fluoro-4-methoxyphenoxy)-4-methyl-3-pyridinyl]methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161713

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate (CID 174161946) is tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate is Cc1c(Cc2ccc(Cl)cc2F)cncc1Cc1ccnc(NC(=O)OC(C)(C)C)c1F.
What is the InChIKey of tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate?
The InChIKey is GVNWWGWVFNPVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3O2/c1-14-17(9-15-5-6-19(25)11-20(15)26)12-28-13-18(14)10-16-7-8-29-22(21(16)27)30-23(31)32-24(2,3)4/h5-8,11-13H,9-10H2,1-4H3,(H,29,30,31).
What are the key properties of tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate?
tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate has a molecular weight of 459.92 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate is sourced from PubChem (CID 174161946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).