4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide

C23H24N4O — CID 164706505

IUPAC4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide
SMILES[H]/N=C/c1c(N)ccc(-c2ccc(CCCC(=O)Nc3cccnc3)cc2)c1C
InChIInChI=1S/C23H24N4O/c1-16-20(11-12-22(25)21(16)14-24)18-9-7-17(8-10-18)4-2-6-23(28)27-19-5-3-13-26-15-19/h3,5,7-15,24H,2,4,6,25H2,1H3,(H,27,28)/b24-14+
InChIKeyVVAJPGWUMLXTKN-ZVHZXABRSA-N
MW372.47 g/mol
LogP4.60
Rot. Bonds7

About 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide

4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide (PubChem CID 164706505) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide
PubChem CID164706505
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide
SMILES[H]/N=C/c1c(N)ccc(-c2ccc(CCCC(=O)Nc3cccnc3)cc2)c1C
InChIInChI=1S/C23H24N4O/c1-16-20(11-12-22(25)21(16)14-24)18-9-7-17(8-10-18)4-2-6-23(28)27-19-5-3-13-26-15-19/h3,5,7-15,24H,2,4,6,25H2,1H3,(H,27,28)/b24-14+
InChIKeyVVAJPGWUMLXTKN-ZVHZXABRSA-N
XLogP4.60
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674503
4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674422
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
CID 138674390
4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674494
4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674485
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 147437155

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide (CID 164706505) is 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide is [H]/N=C/c1c(N)ccc(-c2ccc(CCCC(=O)Nc3cccnc3)cc2)c1C.
What is the InChIKey of 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide?
The InChIKey is VVAJPGWUMLXTKN-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-20(11-12-22(25)21(16)14-24)18-9-7-17(8-10-18)4-2-6-23(28)27-19-5-3-13-26-15-19/h3,5,7-15,24H,2,4,6,25H2,1H3,(H,27,28)/b24-14+.
What are the key properties of 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide?
4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide has a molecular weight of 372.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 164706505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).