methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate

C13H12FN3O2 — CID 166473361

IUPACmethyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(F)c(C)n2)ccn1
InChIInChI=1S/C13H12FN3O2/c1-8-10(14)3-4-11(16-8)9-5-6-15-12(7-9)17-13(18)19-2/h3-7H,1-2H3,(H,15,17,18)
InChIKeyCFWABASNWYHWKU-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.77
Rot. Bonds2

About methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate

methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate (PubChem CID 166473361) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
PubChem CID166473361
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Namemethyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(F)c(C)n2)ccn1
InChIInChI=1S/C13H12FN3O2/c1-8-10(14)3-4-11(16-8)9-5-6-15-12(7-9)17-13(18)19-2/h3-7H,1-2H3,(H,15,17,18)
InChIKeyCFWABASNWYHWKU-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]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

[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
CID 174234102
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
ethane;methyl N-[4-[4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-pyridinyl]-2-pyridinyl]carbamate
CID 145286356
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
methyl N-[4-[4-[5-(3,3-dimethylbutylcarbamoylamino)-2-methyl-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 168929128
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
CID 144939875
[4-[5-[2-amino-4-methyl-2-(trifluoromethyl)pentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 146190512
tert-butyl 4-[2,6-difluoro-4-[2-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]imidazo[4,5-b]pyridin-3-yl]phenyl]piperazine-1-carboxylate
CID 171629382
methyl N-[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-4-(difluoromethyl)-2-pyridinyl]-2-pyridinyl]carbamate
CID 118429774
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate (CID 166473361) is methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2ccc(F)c(C)n2)ccn1.
What is the InChIKey of methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate?
The InChIKey is CFWABASNWYHWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-8-10(14)3-4-11(16-8)9-5-6-15-12(7-9)17-13(18)19-2/h3-7H,1-2H3,(H,15,17,18).
What are the key properties of methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate?
methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate has a molecular weight of 261.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 166473361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).