4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

C21H19FN6O2 — CID 90153819

IUPAC4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C#N)c1OC
InChIInChI=1S/C21H19FN6O2/c1-12-7-18(26-11-15(12)22)28-19-8-17(14(10-25-19)21(29)24-2)27-16-6-4-5-13(9-23)20(16)30-3/h4-8,10-11H,1-3H3,(H,24,29)(H2,25,26,27,28)
InChIKeyMGBKVKRFXVXIGC-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.65
Rot. Bonds6

About 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 90153819) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID90153819
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C#N)c1OC
InChIInChI=1S/C21H19FN6O2/c1-12-7-18(26-11-15(12)22)28-19-8-17(14(10-25-19)21(29)24-2)27-16-6-4-5-13(9-23)20(16)30-3/h4-8,10-11H,1-3H3,(H,24,29)(H2,25,26,27,28)
InChIKeyMGBKVKRFXVXIGC-UHFFFAOYSA-N
XLogP3.65
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 90153819) is 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C#N)c1OC.
What is the InChIKey of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is MGBKVKRFXVXIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-12-7-18(26-11-15(12)22)28-19-8-17(14(10-25-19)21(29)24-2)27-16-6-4-5-13(9-23)20(16)30-3/h4-8,10-11H,1-3H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90153819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).