N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide

C22H21FN4O2 — CID 142489335

IUPACN-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1
InChIInChI=1S/C22H21FN4O2/c1-2-17(14-6-4-3-5-7-14)21(28)26-16-9-11-20(25-13-16)22(29)27-19-10-8-15(23)12-18(19)24/h3-13,17H,2,24H2,1H3,(H,26,28)(H,27,29)
InChIKeyGMTQIBOGHFJELF-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.19
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide

N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide (PubChem CID 142489335) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide
PubChem CID142489335
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1
InChIInChI=1S/C22H21FN4O2/c1-2-17(14-6-4-3-5-7-14)21(28)26-16-9-11-20(25-13-16)22(29)27-19-10-8-15(23)12-18(19)24/h3-13,17H,2,24H2,1H3,(H,26,28)(H,27,29)
InChIKeyGMTQIBOGHFJELF-UHFFFAOYSA-N
XLogP4.19
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide (CID 142489335) is N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide is CCC(C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide?
The InChIKey is GMTQIBOGHFJELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-2-17(14-6-4-3-5-7-14)21(28)26-16-9-11-20(25-13-16)22(29)27-19-10-8-15(23)12-18(19)24/h3-13,17H,2,24H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide?
N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-5-[[(2R)-2-phenylbutanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 142489335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).