N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide

C21H19N5O — CID 166690880

IUPACN-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2)c1)N(C)/C=N/[H]
InChIInChI=1S/C21H19N5O/c1-26(14-22)20(23)16-8-5-9-18(12-16)25-21(27)17-10-11-24-19(13-17)15-6-3-2-4-7-15/h2-14,22-23H,1H3,(H,25,27)/b22-14+,23-20-
InChIKeyFPYAMJBMJXGLED-IPHSUPRDSA-N
MW357.42 g/mol
LogP3.87
Rot. Bonds5

About N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide

N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide (PubChem CID 166690880) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide
PubChem CID166690880
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2)c1)N(C)/C=N/[H]
InChIInChI=1S/C21H19N5O/c1-26(14-22)20(23)16-8-5-9-18(12-16)25-21(27)17-10-11-24-19(13-17)15-6-3-2-4-7-15/h2-14,22-23H,1H3,(H,25,27)/b22-14+,23-20-
InChIKeyFPYAMJBMJXGLED-IPHSUPRDSA-N
XLogP3.87
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-(6-amino-3-pyridinyl)-N-[3-(N-cyclopropyl-N-methanimidoylcarbamimidoyl)phenyl]pyridine-2-carboxamide
CID 166690723
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
CID 126639013
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
2-(1-methylindol-5-yl)-N-phenylpyridine-4-carboxamide
CID 117089782
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide?
The IUPAC name of N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide (CID 166690880) is N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide is [H]/N=C(/c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2)c1)N(C)/C=N/[H].
What is the InChIKey of N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide?
The InChIKey is FPYAMJBMJXGLED-IPHSUPRDSA-N. The full InChI is InChI=1S/C21H19N5O/c1-26(14-22)20(23)16-8-5-9-18(12-16)25-21(27)17-10-11-24-19(13-17)15-6-3-2-4-7-15/h2-14,22-23H,1H3,(H,25,27)/b22-14+,23-20-.
What are the key properties of N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide?
N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methanimidoyl-N-methylcarbamimidoyl)phenyl]-2-phenylpyridine-4-carboxamide is sourced from PubChem (CID 166690880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).