4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid

C21H19FN4O2 — CID 118219064

IUPAC4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESC=C(C)c1c(Nc2ccncc2C(=O)O)cc(-c2cc(C)ccc2F)nc1N
InChIInChI=1S/C21H19FN4O2/c1-11(2)19-18(25-16-6-7-24-10-14(16)21(27)28)9-17(26-20(19)23)13-8-12(3)4-5-15(13)22/h4-10H,1H2,2-3H3,(H,27,28)(H3,23,24,25,26)
InChIKeyNBTRPMPIQDQCQI-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.65
Rot. Bonds5

About 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid

4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 118219064) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid
PubChem CID118219064
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESC=C(C)c1c(Nc2ccncc2C(=O)O)cc(-c2cc(C)ccc2F)nc1N
InChIInChI=1S/C21H19FN4O2/c1-11(2)19-18(25-16-6-7-24-10-14(16)21(27)28)9-17(26-20(19)23)13-8-12(3)4-5-15(13)22/h4-10H,1H2,2-3H3,(H,27,28)(H3,23,24,25,26)
InChIKeyNBTRPMPIQDQCQI-UHFFFAOYSA-N
XLogP4.65
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid (CID 118219064) is 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid is C=C(C)c1c(Nc2ccncc2C(=O)O)cc(-c2cc(C)ccc2F)nc1N.
What is the InChIKey of 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The InChIKey is NBTRPMPIQDQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-11(2)19-18(25-16-6-7-24-10-14(16)21(27)28)9-17(26-20(19)23)13-8-12(3)4-5-15(13)22/h4-10H,1H2,2-3H3,(H,27,28)(H3,23,24,25,26).
What are the key properties of 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-6-(2-fluoro-5-methylphenyl)-3-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 118219064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).