ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate

C15H16F2N4O2 — CID 10426258

IUPACethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)nc1N
InChIInChI=1S/C15H16F2N4O2/c1-2-23-15(22)20-12-5-6-13(21-14(12)18)19-8-9-3-4-10(16)7-11(9)17/h3-7H,2,8H2,1H3,(H,20,22)(H3,18,19,21)
InChIKeyBVDZZZVLGKJXBX-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.12
Rot. Bonds5

About ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 10426258) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID10426258
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Nameethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)nc1N
InChIInChI=1S/C15H16F2N4O2/c1-2-23-15(22)20-12-5-6-13(21-14(12)18)19-8-9-3-4-10(16)7-11(9)17/h3-7H,2,8H2,1H3,(H,20,22)(H3,18,19,21)
InChIKeyBVDZZZVLGKJXBX-UHFFFAOYSA-N
XLogP3.12
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-amino-6-[(2,4-difluorophenyl)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

ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
prop-2-enyl N-[2-amino-6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 15152218
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
CID 110178948
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016
ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate
CID 123284761
ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate
CID 66509094
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 11296955

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate (CID 10426258) is ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(F)cc2F)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is BVDZZZVLGKJXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-2-23-15(22)20-12-5-6-13(21-14(12)18)19-8-9-3-4-10(16)7-11(9)17/h3-7H,2,8H2,1H3,(H,20,22)(H3,18,19,21).
What are the key properties of ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 322.32 g/mol, XLogP of 3.12, 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-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 10426258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).