ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate

C17H19F3N4O2 — CID 159011470

IUPACethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cc(C)cc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C17H19F3N4O2/c1-3-26-16(25)23-13-4-5-14(24-15(13)21)22-9-11-6-10(2)7-12(8-11)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,23,25)(H3,21,22,24)
InChIKeyNXDKDKZGEWVYJW-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.17
Rot. Bonds5

About ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate (PubChem CID 159011470) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
PubChem CID159011470
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Nameethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cc(C)cc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C17H19F3N4O2/c1-3-26-16(25)23-13-4-5-14(24-15(13)21)22-9-11-6-10(2)7-12(8-11)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,23,25)(H3,21,22,24)
InChIKeyNXDKDKZGEWVYJW-UHFFFAOYSA-N
XLogP4.17
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-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

Flupirtine
CID 53276
Flupirtine Maleate
CID 6435335
Mivobulin
CID 182763
ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 485173
CI 980
CID 100669
Ethyl [(2r)-5-Amino-2-Methyl-3-Phenyl-1,2-Dihydropyrido[3,4-B]pyrazin-7-Yl]carbamate
CID 460505
ethyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 134196
methyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 459854
ethyl N-[5-amino-3-(3-aminophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 459861
ethyl N-[(2S)-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 459876
Carbamic acid, (5-amino-1,2-dihydro-3-(4-(trifluoromethyl)phenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 150006
ethyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;hydrochloride
CID 9950824

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate (CID 159011470) is ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2cc(C)cc(C(F)(F)F)c2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The InChIKey is NXDKDKZGEWVYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-3-26-16(25)23-13-4-5-14(24-15(13)21)22-9-11-6-10(2)7-12(8-11)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,23,25)(H3,21,22,24).
What are the key properties of ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate has a molecular weight of 368.36 g/mol, XLogP of 4.17, 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-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 159011470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).