6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide

C23H23FN8O2 — CID 90153817

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncnn2C)c1OC
InChIInChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)31-20-9-18(15(10-26-20)23(33)25-2)30-17-7-5-6-14(21(17)34-4)22-28-12-29-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,30,31)
InChIKeyADUVYCIENFVLEM-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.58
Rot. Bonds7

About 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 90153817) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
PubChem CID90153817
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncnn2C)c1OC
InChIInChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)31-20-9-18(15(10-26-20)23(33)25-2)30-17-7-5-6-14(21(17)34-4)22-28-12-29-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,30,31)
InChIKeyADUVYCIENFVLEM-UHFFFAOYSA-N
XLogP3.58
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (CID 90153817) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncnn2C)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is ADUVYCIENFVLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)31-20-9-18(15(10-26-20)23(33)25-2)30-17-7-5-6-14(21(17)34-4)22-28-12-29-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,30,31).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90153817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).