6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide

C22H23FN6O3 — CID 155533007

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NC)c1OC
InChIInChI=1S/C22H23FN6O3/c1-12-8-18(27-11-15(12)23)29-19-9-17(14(10-26-19)22(31)25-3)28-16-7-5-6-13(20(16)32-4)21(30)24-2/h5-11H,1-4H3,(H,24,30)(H,25,31)(H2,26,27,28,29)
InChIKeySBPWEKRYHXEQJA-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.14
Rot. Bonds7

About 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 155533007) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
PubChem CID155533007
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NC)c1OC
InChIInChI=1S/C22H23FN6O3/c1-12-8-18(27-11-15(12)23)29-19-9-17(14(10-26-19)22(31)25-3)28-16-7-5-6-13(20(16)32-4)21(30)24-2/h5-11H,1-4H3,(H,24,30)(H,25,31)(H2,26,27,28,29)
InChIKeySBPWEKRYHXEQJA-UHFFFAOYSA-N
XLogP3.14
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide (CID 155533007) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NC)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is SBPWEKRYHXEQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-12-8-18(27-11-15(12)23)29-19-9-17(14(10-26-19)22(31)25-3)28-16-7-5-6-13(20(16)32-4)21(30)24-2/h5-11H,1-4H3,(H,24,30)(H,25,31)(H2,26,27,28,29).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155533007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).