ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate

C16H19FN4O2 — CID 157083674

IUPACethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(C)cn2)c(F)c1N
InChIInChI=1S/C16H19FN4O2/c1-3-23-16(22)21-13-7-6-12(14(17)15(13)18)20-9-11-5-4-10(2)8-19-11/h4-8,20H,3,9,18H2,1-2H3,(H,21,22)
InChIKeyADVNSRSUYJIUKP-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.29
Rot. Bonds5

About ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate

ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate (PubChem CID 157083674) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate
PubChem CID157083674
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Nameethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(C)cn2)c(F)c1N
InChIInChI=1S/C16H19FN4O2/c1-3-23-16(22)21-13-7-6-12(14(17)15(13)18)20-9-11-5-4-10(2)8-19-11/h4-8,20H,3,9,18H2,1-2H3,(H,21,22)
InChIKeyADVNSRSUYJIUKP-UHFFFAOYSA-N
XLogP3.29
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-amino-3-fluoro-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202085
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
N-[4-[(5-methyl-2-pyridinyl)methylamino]phenyl]propanamide
CID 80709466
N-[2-methoxy-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 80711477
ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
CID 141275396
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate
CID 23069482
2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311383

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate (CID 157083674) is ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(C)cn2)c(F)c1N.
What is the InChIKey of ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate?
The InChIKey is ADVNSRSUYJIUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-3-23-16(22)21-13-7-6-12(14(17)15(13)18)20-9-11-5-4-10(2)8-19-11/h4-8,20H,3,9,18H2,1-2H3,(H,21,22).
What are the key properties of ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate?
ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate has a molecular weight of 318.35 g/mol, XLogP of 3.29, 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-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 157083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).