4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide

C19H17N3O2 — CID 109218773

IUPAC4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C19H17N3O2/c1-24-17-9-5-8-15(12-17)21-16-10-11-20-18(13-16)19(23)22-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21)(H,22,23)
InChIKeyCLMMXUUFYBDYLI-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.09
Rot. Bonds5

About 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide

4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide (PubChem CID 109218773) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
PubChem CID109218773
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C19H17N3O2/c1-24-17-9-5-8-15(12-17)21-16-10-11-20-18(13-16)19(23)22-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21)(H,22,23)
InChIKeyCLMMXUUFYBDYLI-UHFFFAOYSA-N
XLogP4.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide (CID 109218773) is 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide is COc1cccc(Nc2ccnc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide?
The InChIKey is CLMMXUUFYBDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-17-9-5-8-15(12-17)21-16-10-11-20-18(13-16)19(23)22-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide?
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109218773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).