N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide

C20H19N3O — CID 109231691

IUPACN-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C20H19N3O/c1-15-7-9-18(10-8-15)23-19-11-17(13-21-14-19)20(24)22-12-16-5-3-2-4-6-16/h2-11,13-14,23H,12H2,1H3,(H,22,24)
InChIKeyXIOPUBPPMCYUNF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide

N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109231691) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109231691
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C20H19N3O/c1-15-7-9-18(10-8-15)23-19-11-17(13-21-14-19)20(24)22-12-16-5-3-2-4-6-16/h2-11,13-14,23H,12H2,1H3,(H,22,24)
InChIKeyXIOPUBPPMCYUNF-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533
N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109231717
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224039
N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109232494
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
CID 109236255

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide (CID 109231691) is N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is XIOPUBPPMCYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-7-9-18(10-8-15)23-19-11-17(13-21-14-19)20(24)22-12-16-5-3-2-4-6-16/h2-11,13-14,23H,12H2,1H3,(H,22,24).
What are the key properties of N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide?
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109231691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).