N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide

C22H23N3O — CID 113035795

IUPACN-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-17(2)22(26)24-21-14-13-20(15-23-21)25(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H,23,24,26)
InChIKeyPHQVEHIMHRPRGB-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.01
Rot. Bonds6

About N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide

N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide (PubChem CID 113035795) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide
PubChem CID113035795
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H23N3O/c1-17(2)22(26)24-21-14-13-20(15-23-21)25(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H,23,24,26)
InChIKeyPHQVEHIMHRPRGB-UHFFFAOYSA-N
XLogP5.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(N-benzylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113035803
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-2-phenylacetamide
CID 113037370
N-[5-[benzyl(methyl)amino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113026912
N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030195
N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113030220
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-amino-N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]propanamide
CID 82034854
5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191562
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566

Frequently Asked Questions

What is the IUPAC name of N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide (CID 113035795) is N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N(Cc2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide?
The InChIKey is PHQVEHIMHRPRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17(2)22(26)24-21-14-13-20(15-23-21)25(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H,23,24,26).
What are the key properties of N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide?
N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide has a molecular weight of 345.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(N-benzylanilino)-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 113035795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).