tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate

C18H28FN5O3 — CID 123685287

IUPACtert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate
SMILESCNc1nc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c(F)cc1C(N)=O
InChIInChI=1S/C18H28FN5O3/c1-18(2,3)27-17(26)23-11-7-5-10(6-8-11)22-16-13(19)9-12(14(20)25)15(21-4)24-16/h9-11H,5-8H2,1-4H3,(H2,20,25)(H,23,26)(H2,21,22,24)
InChIKeyIQVMVTCJIVKNEO-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.61
Rot. Bonds5

About tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate

tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate (PubChem CID 123685287) has the molecular formula C18H28FN5O3 and a molecular weight of 381.45 g/mol. Its IUPAC name is tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate
PubChem CID123685287
Molecular FormulaC18H28FN5O3
Molecular Weight381.45 g/mol
Exact Mass381.22
IUPAC Nametert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate
SMILESCNc1nc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c(F)cc1C(N)=O
InChIInChI=1S/C18H28FN5O3/c1-18(2,3)27-17(26)23-11-7-5-10(6-8-11)22-16-13(19)9-12(14(20)25)15(21-4)24-16/h9-11H,5-8H2,1-4H3,(H2,20,25)(H,23,26)(H2,21,22,24)
InChIKeyIQVMVTCJIVKNEO-UHFFFAOYSA-N
XLogP2.61
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-2-[(5-carbamoyl-6-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate
CID 163456540
[4-[[5-carbamoyl-6-(2,2-difluoroethoxy)-3-fluoro-2-pyridinyl]amino]cyclohexyl] N-tert-butylcarbamate
CID 90881939
tert-butyl N-[4-[(3-chloro-7-morpholin-4-ylisoquinolin-1-yl)amino]cyclohexyl]carbamate
CID 178036730
tert-butyl N-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]carbamate
CID 107648652
tert-butyl N-[4-[[2-(ethylamino)-5-fluoro-3-pyridinyl]amino]cyclohexyl]carbamate;ethane
CID 145414377
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
tert-butyl N-[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]carbamate
CID 133458417
tert-butyl N-[4-[(3-chloro-5-cyano-6-methoxy-2-pyridinyl)amino]cyclohexyl]carbamate
CID 86655104
methyl 3-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-4-(trifluoromethyl)benzoate
CID 156761235
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate (CID 123685287) is tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate is CNc1nc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c(F)cc1C(N)=O.
What is the InChIKey of tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate?
The InChIKey is IQVMVTCJIVKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O3/c1-18(2,3)27-17(26)23-11-7-5-10(6-8-11)22-16-13(19)9-12(14(20)25)15(21-4)24-16/h9-11H,5-8H2,1-4H3,(H2,20,25)(H,23,26)(H2,21,22,24).
What are the key properties of tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate?
tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate has a molecular weight of 381.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 123685287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).