4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

C24H26FN5O3 — CID 46218981

IUPAC4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1CNc1cc(Nc2ccc(N3CCOCC3)cc2)ncc1C(N)=O
InChIInChI=1S/C24H26FN5O3/c1-32-22-7-2-17(25)12-16(22)14-27-21-13-23(28-15-20(21)24(26)31)29-18-3-5-19(6-4-18)30-8-10-33-11-9-30/h2-7,12-13,15H,8-11,14H2,1H3,(H2,26,31)(H2,27,28,29)
InChIKeyNKKJOTFKQOWPTH-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.52
Rot. Bonds8

About 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 46218981) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID46218981
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1CNc1cc(Nc2ccc(N3CCOCC3)cc2)ncc1C(N)=O
InChIInChI=1S/C24H26FN5O3/c1-32-22-7-2-17(25)12-16(22)14-27-21-13-23(28-15-20(21)24(26)31)29-18-3-5-19(6-4-18)30-8-10-33-11-9-30/h2-7,12-13,15H,8-11,14H2,1H3,(H2,26,31)(H2,27,28,29)
InChIKeyNKKJOTFKQOWPTH-UHFFFAOYSA-N
XLogP3.52
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 46218981) is 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is COc1ccc(F)cc1CNc1cc(Nc2ccc(N3CCOCC3)cc2)ncc1C(N)=O.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is NKKJOTFKQOWPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-32-22-7-2-17(25)12-16(22)14-27-21-13-23(28-15-20(21)24(26)31)29-18-3-5-19(6-4-18)30-8-10-33-11-9-30/h2-7,12-13,15H,8-11,14H2,1H3,(H2,26,31)(H2,27,28,29).
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 46218981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).