methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate

C18H24N4O3 — CID 144939875

IUPACmethyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(OCC(C)CC(C)C)nc2)ccn1
InChIInChI=1S/C18H24N4O3/c1-12(2)7-13(3)11-25-17-20-9-15(10-21-17)14-5-6-19-16(8-14)22-18(23)24-4/h5-6,8-10,12-13H,7,11H2,1-4H3,(H,19,22,23)
InChIKeyWMUZQWHEWODVJE-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.78
Rot. Bonds7

About methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate

methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate (PubChem CID 144939875) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
PubChem CID144939875
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Namemethyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(OCC(C)CC(C)C)nc2)ccn1
InChIInChI=1S/C18H24N4O3/c1-12(2)7-13(3)11-25-17-20-9-15(10-21-17)14-5-6-19-16(8-14)22-18(23)24-4/h5-6,8-10,12-13H,7,11H2,1-4H3,(H,19,22,23)
InChIKeyWMUZQWHEWODVJE-UHFFFAOYSA-N
XLogP3.78
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-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

methyl N-[4-[6-(2,4-dimethylpentoxy)-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 144939981
ethane;methyl N-[4-[4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-pyridinyl]-2-pyridinyl]carbamate
CID 145286356
tert-butyl N-[1-[2-[(dimethylamino)methyl]-4-[2-(methoxycarbonylamino)-4-pyridinyl]phenoxy]-4-methylpentan-2-yl]carbamate
CID 123905795
2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 138506527
N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-2-pyridinyl]thiophene-2-carboxamide
CID 146260399
methyl N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamate
CID 146207931
N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138506530
methyl N-[4-[4-(4-methylpentoxy)-3-(1,2-oxazol-5-yl)phenyl]-2-pyridinyl]carbamate
CID 145286473
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide
CID 138506505
methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
CID 175018464
methyl N-[4-[6-[(2R)-2-amino-2,4-dimethylpentoxy]-5-(difluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 129292479

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate (CID 144939875) is methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cnc(OCC(C)CC(C)C)nc2)ccn1.
What is the InChIKey of methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate?
The InChIKey is WMUZQWHEWODVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)7-13(3)11-25-17-20-9-15(10-21-17)14-5-6-19-16(8-14)22-18(23)24-4/h5-6,8-10,12-13H,7,11H2,1-4H3,(H,19,22,23).
What are the key properties of methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate?
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate has a molecular weight of 344.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 144939875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).