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

C23H25FN6O3 — CID 155553968

IUPAC4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)N(C)C)c1OC
InChIInChI=1S/C23H25FN6O3/c1-13-9-19(27-12-16(13)24)29-20-10-18(15(11-26-20)22(31)25-2)28-17-8-6-7-14(21(17)33-5)23(32)30(3)4/h6-12H,1-5H3,(H,25,31)(H2,26,27,28,29)
InChIKeyADYXOSVZNXBMHU-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.48
Rot. Bonds7

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

4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 155553968) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID155553968
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)N(C)C)c1OC
InChIInChI=1S/C23H25FN6O3/c1-13-9-19(27-12-16(13)24)29-20-10-18(15(11-26-20)22(31)25-2)28-17-8-6-7-14(21(17)33-5)23(32)30(3)4/h6-12H,1-5H3,(H,25,31)(H2,26,27,28,29)
InChIKeyADYXOSVZNXBMHU-UHFFFAOYSA-N
XLogP3.48
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-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 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 155553968) is 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[3-(dimethylcarbamoyl)-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(=O)N(C)C)c1OC.
What is the InChIKey of 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is ADYXOSVZNXBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-13-9-19(27-12-16(13)24)29-20-10-18(15(11-26-20)22(31)25-2)28-17-8-6-7-14(21(17)33-5)23(32)30(3)4/h6-12H,1-5H3,(H,25,31)(H2,26,27,28,29).
What are the key properties of 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155553968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).