6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide

C14H15FN4O — CID 134187946

IUPAC6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(N)c(F)cc2C(N)=O)cc1C
InChIInChI=1S/C14H15FN4O/c1-7-3-4-9(5-8(7)2)18-14-10(13(17)20)6-11(15)12(16)19-14/h3-6H,1-2H3,(H2,17,20)(H3,16,18,19)
InChIKeyUMHORPSKQIHZIO-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.26
Rot. Bonds3

About 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide

6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide (PubChem CID 134187946) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
PubChem CID134187946
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(N)c(F)cc2C(N)=O)cc1C
InChIInChI=1S/C14H15FN4O/c1-7-3-4-9(5-8(7)2)18-14-10(13(17)20)6-11(15)12(16)19-14/h3-6H,1-2H3,(H2,17,20)(H3,16,18,19)
InChIKeyUMHORPSKQIHZIO-UHFFFAOYSA-N
XLogP2.26
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
[6-amino-2-(3,4-dimethylanilino)-5-methyl-3-pyridinyl]methanol
CID 134187707
5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide
CID 134187909
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 141334617
6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 129192976
4-(3,4-dimethylanilino)-3,5-difluorobenzenecarbothioamide
CID 81286157
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
[5-carbamoyl-3-fluoro-6-(4-methylanilino)-2-pyridinyl]-dimethyl-[2-(methylamino)cyclohexyl]azanium
CID 123145499
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 67509421

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide (CID 134187946) is 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide is Cc1ccc(Nc2nc(N)c(F)cc2C(N)=O)cc1C.
What is the InChIKey of 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide?
The InChIKey is UMHORPSKQIHZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-7-3-4-9(5-8(7)2)18-14-10(13(17)20)6-11(15)12(16)19-14/h3-6H,1-2H3,(H2,17,20)(H3,16,18,19).
What are the key properties of 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide?
6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 134187946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).