5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide

C16H16FN5O — CID 134187909

IUPAC5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide
SMILESCNc1nc(Nc2ccc3c(c2)C(C)=NC3)c(C(N)=O)cc1F
InChIInChI=1S/C16H16FN5O/c1-8-11-5-10(4-3-9(11)7-20-8)21-15-12(14(18)23)6-13(17)16(19-2)22-15/h3-6H,7H2,1-2H3,(H2,18,23)(H2,19,21,22)
InChIKeyVIORUZFRWRGEHQ-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.43
Rot. Bonds4

About 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide

5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 134187909) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide
PubChem CID134187909
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide
SMILESCNc1nc(Nc2ccc3c(c2)C(C)=NC3)c(C(N)=O)cc1F
InChIInChI=1S/C16H16FN5O/c1-8-11-5-10(4-3-9(11)7-20-8)21-15-12(14(18)23)6-13(17)16(19-2)22-15/h3-6H,7H2,1-2H3,(H2,18,23)(H2,19,21,22)
InChIKeyVIORUZFRWRGEHQ-UHFFFAOYSA-N
XLogP2.43
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 134187946
6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 129192976
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
2-[4-[(aminomethylideneamino)methylideneamino]anilino]-5-fluoro-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
CID 129192888
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
[5-carbamoyl-3-fluoro-6-(4-methylanilino)-2-pyridinyl]-dimethyl-[2-(methylamino)cyclohexyl]azanium
CID 123145499
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 67509421
6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 123570338
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335824
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 141334617
2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 57489643

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide (CID 134187909) is 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide is CNc1nc(Nc2ccc3c(c2)C(C)=NC3)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is VIORUZFRWRGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-8-11-5-10(4-3-9(11)7-20-8)21-15-12(14(18)23)6-13(17)16(19-2)22-15/h3-6H,7H2,1-2H3,(H2,18,23)(H2,19,21,22).
What are the key properties of 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide?
5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 134187909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).