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

C20H19FN6O3 — CID 121284991

IUPAC4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(C(N)=O)cc1OC
InChIInChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-18(27-17-6-4-12(21)9-24-17)8-15(13)26-14-5-3-11(19(22)28)7-16(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeyPENFDVUMLLDOTA-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.57
Rot. Bonds7

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

4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 121284991) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID121284991
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(C(N)=O)cc1OC
InChIInChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-18(27-17-6-4-12(21)9-24-17)8-15(13)26-14-5-3-11(19(22)28)7-16(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeyPENFDVUMLLDOTA-UHFFFAOYSA-N
XLogP2.57
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 121284991) is 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(C(N)=O)cc1OC.
What is the InChIKey of 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is PENFDVUMLLDOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-18(27-17-6-4-12(21)9-24-17)8-15(13)26-14-5-3-11(19(22)28)7-16(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27).
What are the key properties of 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 121284991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).