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

C21H21FN6O3 — CID 75201716

IUPAC4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(N)=O)c1OC
InChIInChI=1S/C21H21FN6O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)21(30)24-2)27-15-6-4-5-12(20(23)29)19(15)31-3/h4-10H,1-3H3,(H2,23,29)(H,24,30)(H2,25,26,27,28)
InChIKeyOBYYHWSHMRWLSE-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.88
Rot. Bonds7

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

4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 75201716) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID75201716
Molecular FormulaC21H21FN6O3
Molecular Weight424.44 g/mol
Exact Mass424.17
IUPAC Name4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(N)=O)c1OC
InChIInChI=1S/C21H21FN6O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)21(30)24-2)27-15-6-4-5-12(20(23)29)19(15)31-3/h4-10H,1-3H3,(H2,23,29)(H,24,30)(H2,25,26,27,28)
InChIKeyOBYYHWSHMRWLSE-UHFFFAOYSA-N
XLogP2.88
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 75201716) is 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(3-carbamoyl-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(N)=O)c1OC.
What is the InChIKey of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is OBYYHWSHMRWLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)21(30)24-2)27-15-6-4-5-12(20(23)29)19(15)31-3/h4-10H,1-3H3,(H2,23,29)(H,24,30)(H2,25,26,27,28).
What are the key properties of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 75201716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).