N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide

C22H23FN4O — CID 113020947

IUPACN-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C22H23FN4O/c1-3-27(4-2)18-12-9-16(10-13-18)25-21-14-11-17(15-24-21)26-22(28)19-7-5-6-8-20(19)23/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyQFXALYJAHDNFMH-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.06
Rot. Bonds7

About N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide

N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113020947) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
PubChem CID113020947
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C22H23FN4O/c1-3-27(4-2)18-12-9-16(10-13-18)25-21-14-11-17(15-24-21)26-22(28)19-7-5-6-8-20(19)23/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyQFXALYJAHDNFMH-UHFFFAOYSA-N
XLogP5.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide (CID 113020947) is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1.
What is the InChIKey of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is QFXALYJAHDNFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-27(4-2)18-12-9-16(10-13-18)25-21-14-11-17(15-24-21)26-22(28)19-7-5-6-8-20(19)23/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide?
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 378.45 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113020947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).