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

C23H25FN6O3 — CID 155515726

IUPAC4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccc(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)NC)c1OC
InChIInChI=1S/C23H25FN6O3/c1-5-26-23(32)14-7-6-8-17(21(14)33-4)29-18-10-20(27-11-15(18)22(31)25-3)30-19-9-13(2)16(24)12-28-19/h6-12H,5H2,1-4H3,(H,25,31)(H,26,32)(H2,27,28,29,30)
InChIKeyRICNXMRLMWKLOK-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.53
Rot. Bonds8

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

4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 155515726) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID155515726
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccc(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)NC)c1OC
InChIInChI=1S/C23H25FN6O3/c1-5-26-23(32)14-7-6-8-17(21(14)33-4)29-18-10-20(27-11-15(18)22(31)25-3)30-19-9-13(2)16(24)12-28-19/h6-12H,5H2,1-4H3,(H,25,31)(H,26,32)(H2,27,28,29,30)
InChIKeyRICNXMRLMWKLOK-UHFFFAOYSA-N
XLogP3.53
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 155515726) is 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CCNC(=O)c1cccc(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)NC)c1OC.
What is the InChIKey of 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is RICNXMRLMWKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-5-26-23(32)14-7-6-8-17(21(14)33-4)29-18-10-20(27-11-15(18)22(31)25-3)30-19-9-13(2)16(24)12-28-19/h6-12H,5H2,1-4H3,(H,25,31)(H,26,32)(H2,27,28,29,30).
What are the key properties of 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-[3-(ethylcarbamoyl)-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 3.53, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylcarbamoyl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155515726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).