3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide

C20H19N3O — CID 113031421

IUPAC3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccc(C)c3)nc2)c1
InChIInChI=1S/C20H19N3O/c1-14-5-3-7-16(11-14)20(24)23-19-10-9-18(13-21-19)22-17-8-4-6-15(2)12-17/h3-13,22H,1-2H3,(H,21,23,24)
InChIKeyRGQRFYOGBUZYGA-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.69
Rot. Bonds4

About 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide

3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide (PubChem CID 113031421) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
PubChem CID113031421
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccc(C)c3)nc2)c1
InChIInChI=1S/C20H19N3O/c1-14-5-3-7-16(11-14)20(24)23-19-10-9-18(13-21-19)22-17-8-4-6-15(2)12-17/h3-13,22H,1-2H3,(H,21,23,24)
InChIKeyRGQRFYOGBUZYGA-UHFFFAOYSA-N
XLogP4.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
ethyl 4-[[6-[(3-methylbenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113036371
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide (CID 113031421) is 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide is Cc1cccc(Nc2ccc(NC(=O)c3cccc(C)c3)nc2)c1.
What is the InChIKey of 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
The InChIKey is RGQRFYOGBUZYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-5-3-7-16(11-14)20(24)23-19-10-9-18(13-21-19)22-17-8-4-6-15(2)12-17/h3-13,22H,1-2H3,(H,21,23,24).
What are the key properties of 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide?
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113031421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).