4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide

C22H22FN5O2 — CID 171832248

IUPAC4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESNc1cc(Nc2ccccc2F)nc(C(=O)Nc2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H22FN5O2/c23-18-6-1-2-7-19(18)26-21-13-15(24)12-20(27-21)22(29)25-16-4-3-5-17(14-16)28-8-10-30-11-9-28/h1-7,12-14H,8-11H2,(H,25,29)(H3,24,26,27)
InChIKeyTWUJICJGBWMYCV-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.64
Rot. Bonds5

About 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide

4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide (PubChem CID 171832248) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide
PubChem CID171832248
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESNc1cc(Nc2ccccc2F)nc(C(=O)Nc2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H22FN5O2/c23-18-6-1-2-7-19(18)26-21-13-15(24)12-20(27-21)22(29)25-16-4-3-5-17(14-16)28-8-10-30-11-9-28/h1-7,12-14H,8-11H2,(H,25,29)(H3,24,26,27)
InChIKeyTWUJICJGBWMYCV-UHFFFAOYSA-N
XLogP3.64
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
2-(2-fluoroanilino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109336754
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573960
2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109316472
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
2-chloro-6-fluoro-N-(2-fluoro-5-morpholin-4-ylphenyl)benzamide
CID 110362632
5-(furan-2-yl)-N-(3-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 110618704

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide (CID 171832248) is 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide is Nc1cc(Nc2ccccc2F)nc(C(=O)Nc2cccc(N3CCOCC3)c2)c1.
What is the InChIKey of 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The InChIKey is TWUJICJGBWMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-18-6-1-2-7-19(18)26-21-13-15(24)12-20(27-21)22(29)25-16-4-3-5-17(14-16)28-8-10-30-11-9-28/h1-7,12-14H,8-11H2,(H,25,29)(H3,24,26,27).
What are the key properties of 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide?
4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-fluoroanilino)-N-(3-morpholin-4-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 171832248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).