N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide

C26H19N3O — CID 175843188

IUPACN-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide
SMILESO=CN(Cc1ccc(-c2ccccc2)nc1)c1ccccc1C#Cc1cccnc1
InChIInChI=1S/C26H19N3O/c30-20-29(19-22-13-15-25(28-18-22)23-8-2-1-3-9-23)26-11-5-4-10-24(26)14-12-21-7-6-16-27-17-21/h1-11,13,15-18,20H,19H2
InChIKeyYOTLBDCZTKRLGJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.71
Rot. Bonds5

About N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide

N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide (PubChem CID 175843188) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide.

Molecular Properties

Compound NameN-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide
PubChem CID175843188
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC NameN-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide
SMILESO=CN(Cc1ccc(-c2ccccc2)nc1)c1ccccc1C#Cc1cccnc1
InChIInChI=1S/C26H19N3O/c30-20-29(19-22-13-15-25(28-18-22)23-8-2-1-3-9-23)26-11-5-4-10-24(26)14-12-21-7-6-16-27-17-21/h1-11,13,15-18,20H,19H2
InChIKeyYOTLBDCZTKRLGJ-UHFFFAOYSA-N
XLogP4.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyridin-3-ylethynyl)benzaldehyde
CID 163461289
N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269434
N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269486
3-(2-naphthalen-1-ylethynyl)pyridine
CID 18947806
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
N,N-diphenyl-6-pyridin-3-ylpyridin-3-amine
CID 15982920
N-[2-(2-pyridin-3-ylethynyl)phenyl]-N-(quinolin-2-ylmethyl)acetamide
CID 175843332
N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269534
5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine
CID 11500155
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
5-isocyanato-2-pyridin-3-ylpyridine
CID 83915829
2-phenyl-5-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]pyridine
CID 164953728

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide?
The IUPAC name of N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide (CID 175843188) is N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide.
What is the SMILES notation for N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide?
The canonical SMILES for N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide is O=CN(Cc1ccc(-c2ccccc2)nc1)c1ccccc1C#Cc1cccnc1.
What is the InChIKey of N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide?
The InChIKey is YOTLBDCZTKRLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c30-20-29(19-22-13-15-25(28-18-22)23-8-2-1-3-9-23)26-11-5-4-10-24(26)14-12-21-7-6-16-27-17-21/h1-11,13,15-18,20H,19H2.
What are the key properties of N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide?
N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide has a molecular weight of 389.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide is sourced from PubChem (CID 175843188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).