N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C25H21N3O — CID 42796236

IUPACN-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1cccnc1
InChIInChI=1S/C25H21N3O/c29-25(24-9-5-15-27-17-24)28(19-21-6-4-14-26-16-21)18-20-10-12-23(13-11-20)22-7-2-1-3-8-22/h1-17H,18-19H2
InChIKeyMEECQCHCJNXTOJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.99
Rot. Bonds6

About N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 42796236) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID42796236
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC NameN-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1cccnc1
InChIInChI=1S/C25H21N3O/c29-25(24-9-5-15-27-17-24)28(19-21-6-4-14-26-16-21)18-20-10-12-23(13-11-20)22-7-2-1-3-8-22/h1-17H,18-19H2
InChIKeyMEECQCHCJNXTOJ-UHFFFAOYSA-N
XLogP4.99
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 42796243
N-[(4-but-2-ynoxyphenyl)methyl]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 42429960
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
N,N-dibenzyl-2-pyridin-3-yl-1H-imidazole-5-carboxamide
CID 59768233
N,N-dibenzylpyridine-3-carbothioamide
CID 125491069
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 42796236) is N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(c1cccnc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1cccnc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MEECQCHCJNXTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c29-25(24-9-5-15-27-17-24)28(19-21-6-4-14-26-16-21)18-20-10-12-23(13-11-20)22-7-2-1-3-8-22/h1-17H,18-19H2.
What are the key properties of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42796236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).