[4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate

C14H20FN3O4 — CID 171759263

IUPAC[4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1c(F)ccnc1N(C)C(=O)OC(C)C
InChIInChI=1S/C14H20FN3O4/c1-9(2)22-14(20)18(4)13-10(11(15)5-6-17-13)8-21-12(19)7-16-3/h5-6,9,16H,7-8H2,1-4H3
InChIKeyGLCNBYSOTAINPF-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.46
Rot. Bonds6

About [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate

[4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate (PubChem CID 171759263) has the molecular formula C14H20FN3O4 and a molecular weight of 313.33 g/mol. Its IUPAC name is [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate.

Molecular Properties

Compound Name[4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
PubChem CID171759263
Molecular FormulaC14H20FN3O4
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name[4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1c(F)ccnc1N(C)C(=O)OC(C)C
InChIInChI=1S/C14H20FN3O4/c1-9(2)22-14(20)18(4)13-10(11(15)5-6-17-13)8-21-12(19)7-16-3/h5-6,9,16H,7-8H2,1-4H3
InChIKeyGLCNBYSOTAINPF-UHFFFAOYSA-N
XLogP1.46
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1,1-Dimethylethoxy)carbonyl)-N-methylglycine (2-(methylamino)-3-pyridinyl)methyl ester
CID 118704864
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 11281469
tert-butyl N-[5-fluoro-4-(methoxymethyl)-2-pyridinyl]carbamate
CID 67282987
2,2-dimethyl-N-[5-(2,2,2-trifluoro-ethoxymethyl)-pyridin-2-yl]-propionamide
CID 68841205
[2-(Boc-amino)-4-fluoropyridin-3-yl]methanol
CID 89656375
5-fluoro-1H-pyrido[2,3-d][1,3]oxazin-2(4H)-one
CID 89657625
(3-Ethoxycarbonyloxy-1,2-dihydro-1,8-naphthyridin-4-yl) 2,2,2-trifluoroacetate
CID 124127888
tert-butyl N-[4-fluoro-3-(methoxymethyl)-2-pyridinyl]carbamate
CID 130330700
Ethyl 6-[(4-fluorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
CID 132037164
ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate
CID 142616463
methyl N-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]carbamate
CID 162684532
N-[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]-N-ethylacetamide
CID 162684541

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The IUPAC name of [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate (CID 171759263) is [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate.
What is the SMILES notation for [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The canonical SMILES for [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate is CNCC(=O)OCc1c(F)ccnc1N(C)C(=O)OC(C)C.
What is the InChIKey of [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The InChIKey is GLCNBYSOTAINPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O4/c1-9(2)22-14(20)18(4)13-10(11(15)5-6-17-13)8-21-12(19)7-16-3/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
[4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate has a molecular weight of 313.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate is sourced from PubChem (CID 171759263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).