ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate

C18H24N4O2 — CID 110179360

IUPACethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)c2ccc(C)cc2C)nc1N
InChIInChI=1S/C18H24N4O2/c1-5-24-18(23)21-15-8-9-16(22-17(15)19)20-13(4)14-7-6-11(2)10-12(14)3/h6-10,13H,5H2,1-4H3,(H,21,23)(H3,19,20,22)
InChIKeyWJZHILPDHOXKDT-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.02
Rot. Bonds5

About ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate (PubChem CID 110179360) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate
PubChem CID110179360
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Nameethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)c2ccc(C)cc2C)nc1N
InChIInChI=1S/C18H24N4O2/c1-5-24-18(23)21-15-8-9-16(22-17(15)19)20-13(4)14-7-6-11(2)10-12(14)3/h6-10,13H,5H2,1-4H3,(H,21,23)(H3,19,20,22)
InChIKeyWJZHILPDHOXKDT-UHFFFAOYSA-N
XLogP4.02
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116
ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]carbamate
CID 110179298
ethyl 4-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-3-methylbenzoate
CID 133215392
2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
ethyl N-[2-amino-6-[(5,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-3-pyridinyl]carbamate
CID 110179570
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl 3-[[(1R)-1-(2,4-dimethylphenyl)ethyl]carbamothioylamino]-2-methylbenzoate
CID 100648134
ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113050137
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate (CID 110179360) is ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC(C)c2ccc(C)cc2C)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate?
The InChIKey is WJZHILPDHOXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-24-18(23)21-15-8-9-16(22-17(15)19)20-13(4)14-7-6-11(2)10-12(14)3/h6-10,13H,5H2,1-4H3,(H,21,23)(H3,19,20,22).
What are the key properties of ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate has a molecular weight of 328.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110179360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).