[4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid

C19H27FN4O3 — CID 118420028

IUPAC[4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid
SMILESCC1=NC(c2ccnc(NC(=O)O)c2)=CCC1(F)OCC(C)(N)CC(C)C
InChIInChI=1S/C19H27FN4O3/c1-12(2)10-18(4,21)11-27-19(20)7-5-15(23-13(19)3)14-6-8-22-16(9-14)24-17(25)26/h5-6,8-9,12H,7,10-11,21H2,1-4H3,(H,22,24)(H,25,26)
InChIKeyFXWPQJGHNZGXKL-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.82
Rot. Bonds7

About [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid

[4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid (PubChem CID 118420028) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid
PubChem CID118420028
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Name[4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid
SMILESCC1=NC(c2ccnc(NC(=O)O)c2)=CCC1(F)OCC(C)(N)CC(C)C
InChIInChI=1S/C19H27FN4O3/c1-12(2)10-18(4,21)11-27-19(20)7-5-15(23-13(19)3)14-6-8-22-16(9-14)24-17(25)26/h5-6,8-9,12H,7,10-11,21H2,1-4H3,(H,22,24)(H,25,26)
InChIKeyFXWPQJGHNZGXKL-UHFFFAOYSA-N
XLogP3.82
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid (CID 118420028) is [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid is CC1=NC(c2ccnc(NC(=O)O)c2)=CCC1(F)OCC(C)(N)CC(C)C.
What is the InChIKey of [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid?
The InChIKey is FXWPQJGHNZGXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-12(2)10-18(4,21)11-27-19(20)7-5-15(23-13(19)3)14-6-8-22-16(9-14)24-17(25)26/h5-6,8-9,12H,7,10-11,21H2,1-4H3,(H,22,24)(H,25,26).
What are the key properties of [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid?
[4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid has a molecular weight of 378.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-amino-2,4-dimethylpentoxy)-5-fluoro-6-methyl-4H-pyridin-2-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118420028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).