2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid

C19H18FN5O2 — CID 67007995

IUPAC2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(Nc2cnccn2)nc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN5O2/c1-11-15(19(26)27)9-16(24-17-10-21-7-8-22-17)25-18(11)23-12(2)13-3-5-14(20)6-4-13/h3-10,12H,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeyOYPQJFRKPQLCJV-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.93
Rot. Bonds6

About 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid

2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 67007995) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid
PubChem CID67007995
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(Nc2cnccn2)nc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN5O2/c1-11-15(19(26)27)9-16(24-17-10-21-7-8-22-17)25-18(11)23-12(2)13-3-5-14(20)6-4-13/h3-10,12H,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeyOYPQJFRKPQLCJV-UHFFFAOYSA-N
XLogP3.93
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid (CID 67007995) is 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid is Cc1c(C(=O)O)cc(Nc2cnccn2)nc1NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is OYPQJFRKPQLCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-11-15(19(26)27)9-16(24-17-10-21-7-8-22-17)25-18(11)23-12(2)13-3-5-14(20)6-4-13/h3-10,12H,1-2H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid?
2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 367.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 67007995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).