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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Related Compounds

5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
CID 123380813
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
CID 162079543
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
N-[6-[4-(2-aminopropan-2-yl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;methyl N-cyclohexyl-N-methylcarbamate
CID 145109235
N-[5-(3-cyclopropylphenyl)-2-formyl-3-pyridinyl]acetamide
CID 176582558
4-[2-(3,4-difluorophenyl)-5-ethoxy-3-pyridinyl]-2-methanimidoylaniline
CID 123806030
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
[4-[2-[[6-[4-(2-aminopropan-2-yl)-3-methoxyphenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-methylcarbamic acid
CID 121439054
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000
N-(4-amino-3-methanimidoylphenyl)-6-methyl-2-oxo-4-quinolin-5-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 142979674
5-(3-cyclopropylphenyl)-3-propan-2-ylimidazol-4-amine
CID 79980676
4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
CID 129089974

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).