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

C23H23FN8O2 — CID 90135672

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC
InChIInChI=1S/C23H23FN8O2/c1-12-8-19(27-11-16(12)24)30-20-9-18(15(10-26-20)23(33)25-3)29-17-7-5-6-14(21(17)34-4)22-28-13(2)31-32-22/h5-11H,1-4H3,(H,25,33)(H,28,31,32)(H2,26,27,29,30)
InChIKeyMKNRLUFCFIICKV-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.87
Rot. Bonds7

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

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 90135672) 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-(5-methyl-1H-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-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
PubChem CID90135672
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC
InChIInChI=1S/C23H23FN8O2/c1-12-8-19(27-11-16(12)24)30-20-9-18(15(10-26-20)23(33)25-3)29-17-7-5-6-14(21(17)34-4)22-28-13(2)31-32-22/h5-11H,1-4H3,(H,25,33)(H,28,31,32)(H2,26,27,29,30)
InChIKeyMKNRLUFCFIICKV-UHFFFAOYSA-N
XLogP3.87
TPSA129.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-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-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide (CID 90135672) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-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-(5-methyl-1H-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-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
The InChIKey is MKNRLUFCFIICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-12-8-19(27-11-16(12)24)30-20-9-18(15(10-26-20)23(33)25-3)29-17-7-5-6-14(21(17)34-4)22-28-13(2)31-32-22/h5-11H,1-4H3,(H,25,33)(H,28,31,32)(H2,26,27,29,30).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90135672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).