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

C20H17FN6O2 — CID 90153726

IUPAC4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C#N)c1OC
InChIInChI=1S/C20H17FN6O2/c1-23-20(28)14-11-25-18(27-17-7-6-13(21)10-24-17)8-16(14)26-15-5-3-4-12(9-22)19(15)29-2/h3-8,10-11H,1-2H3,(H,23,28)(H2,24,25,26,27)
InChIKeyLJWNGIYAQBNOLI-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.34
Rot. Bonds6

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

4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 90153726) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID90153726
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C#N)c1OC
InChIInChI=1S/C20H17FN6O2/c1-23-20(28)14-11-25-18(27-17-7-6-13(21)10-24-17)8-16(14)26-15-5-3-4-12(9-22)19(15)29-2/h3-8,10-11H,1-2H3,(H,23,28)(H2,24,25,26,27)
InChIKeyLJWNGIYAQBNOLI-UHFFFAOYSA-N
XLogP3.34
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

Bms-986202
CID 155981972
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[[3-(Trifluoromethyl)phenyl]amino]-N-[3-[4-(2-isopropoxyphenyl)piperazine-1-yl]-2-hydroxypropyl]-3-pyridinecarboxamide
CID 9915752
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639
2-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10526964
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10574245
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341
Cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone
CID 10763212
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 90153726) is 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C#N)c1OC.
What is the InChIKey of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is LJWNGIYAQBNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-23-20(28)14-11-25-18(27-17-7-6-13(21)10-24-17)8-16(14)26-15-5-3-4-12(9-22)19(15)29-2/h3-8,10-11H,1-2H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of 4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.34, 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-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90153726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).