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

C19H18FN5O2 — CID 121285043

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1OC
InChIInChI=1S/C19H18FN5O2/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)27-2/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)
InChIKeyRNFXHTFBTWGHHQ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.47
Rot. Bonds6

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

6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 121285043) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID121285043
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1OC
InChIInChI=1S/C19H18FN5O2/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)27-2/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)
InChIKeyRNFXHTFBTWGHHQ-UHFFFAOYSA-N
XLogP3.47
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (CID 121285043) is 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1OC.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is RNFXHTFBTWGHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)27-2/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 121285043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).