N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide

C23H22N4O — CID 123773144

IUPACN-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide
SMILES[H]/N=C/c1cc(-c2cc(NC(C)=O)cnc2-c2cccc(C3CC3)c2)ccc1N
InChIInChI=1S/C23H22N4O/c1-14(28)27-20-11-21(17-7-8-22(25)19(10-17)12-24)23(26-13-20)18-4-2-3-16(9-18)15-5-6-15/h2-4,7-13,15,24H,5-6,25H2,1H3,(H,27,28)/b24-12+
InChIKeyHMRFUEGSDMWWRE-WYMPLXKRSA-N
MW370.46 g/mol
LogP4.83
Rot. Bonds5

About N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide

N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide (PubChem CID 123773144) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide
PubChem CID123773144
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide
SMILES[H]/N=C/c1cc(-c2cc(NC(C)=O)cnc2-c2cccc(C3CC3)c2)ccc1N
InChIInChI=1S/C23H22N4O/c1-14(28)27-20-11-21(17-7-8-22(25)19(10-17)12-24)23(26-13-20)18-4-2-3-16(9-18)15-5-6-15/h2-4,7-13,15,24H,5-6,25H2,1H3,(H,27,28)/b24-12+
InChIKeyHMRFUEGSDMWWRE-WYMPLXKRSA-N
XLogP4.83
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide (CID 123773144) is N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide is [H]/N=C/c1cc(-c2cc(NC(C)=O)cnc2-c2cccc(C3CC3)c2)ccc1N.
What is the InChIKey of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide?
The InChIKey is HMRFUEGSDMWWRE-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H22N4O/c1-14(28)27-20-11-21(17-7-8-22(25)19(10-17)12-24)23(26-13-20)18-4-2-3-16(9-18)15-5-6-15/h2-4,7-13,15,24H,5-6,25H2,1H3,(H,27,28)/b24-12+.
What are the key properties of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide?
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 123773144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).