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

C19H16F3N5O2 — CID 155538533

IUPAC4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(F)c(F)c1OC
InChIInChI=1S/C19H16F3N5O2/c1-23-19(28)11-9-25-16(27-15-6-3-10(20)8-24-15)7-14(11)26-13-5-4-12(21)17(22)18(13)29-2/h3-9H,1-2H3,(H,23,28)(H2,24,25,26,27)
InChIKeyYJELMXAGNJWBFO-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.75
Rot. Bonds6

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

4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 155538533) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID155538533
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(F)c(F)c1OC
InChIInChI=1S/C19H16F3N5O2/c1-23-19(28)11-9-25-16(27-15-6-3-10(20)8-24-15)7-14(11)26-13-5-4-12(21)17(22)18(13)29-2/h3-9H,1-2H3,(H,23,28)(H2,24,25,26,27)
InChIKeyYJELMXAGNJWBFO-UHFFFAOYSA-N
XLogP3.75
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 155538533) is 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(F)c(F)c1OC.
What is the InChIKey of 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is YJELMXAGNJWBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-23-19(28)11-9-25-16(27-15-6-3-10(20)8-24-15)7-14(11)26-13-5-4-12(21)17(22)18(13)29-2/h3-9H,1-2H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155538533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).