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

C18H16FN5O — CID 90154140

IUPAC4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1
InChIInChI=1S/C18H16FN5O/c1-20-18(25)14-11-22-17(24-16-8-7-12(19)10-21-16)9-15(14)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeyJKRKINMOUTUBKN-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.46
Rot. Bonds5

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

4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 90154140) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID90154140
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1
InChIInChI=1S/C18H16FN5O/c1-20-18(25)14-11-22-17(24-16-8-7-12(19)10-21-16)9-15(14)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeyJKRKINMOUTUBKN-UHFFFAOYSA-N
XLogP3.46
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 90154140) is 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1.
What is the InChIKey of 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is JKRKINMOUTUBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-20-18(25)14-11-22-17(24-16-8-7-12(19)10-21-16)9-15(14)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90154140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).