N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide

C19H16FN3O2 — CID 109220605

IUPACN-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C19H16FN3O2/c1-25-15-8-6-13(7-9-15)22-14-10-11-21-18(12-14)19(24)23-17-5-3-2-4-16(17)20/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyMRCISCAAUDLVLK-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.23
Rot. Bonds5

About N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide

N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109220605) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
PubChem CID109220605
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C19H16FN3O2/c1-25-15-8-6-13(7-9-15)22-14-10-11-21-18(12-14)19(24)23-17-5-3-2-4-16(17)20/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyMRCISCAAUDLVLK-UHFFFAOYSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide (CID 109220605) is N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)Nc3ccccc3F)c2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is MRCISCAAUDLVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-25-15-8-6-13(7-9-15)22-14-10-11-21-18(12-14)19(24)23-17-5-3-2-4-16(17)20/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide?
N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109220605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).