N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide

C15H16N2O — CID 169111032

IUPACN-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide
SMILESCc1ccc(CN(C=O)Cc2ccccc2)nc1
InChIInChI=1S/C15H16N2O/c1-13-7-8-15(16-9-13)11-17(12-18)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3
InChIKeyNJJAKINQEPRQBC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.55
Rot. Bonds5

About N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide

N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide (PubChem CID 169111032) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide
PubChem CID169111032
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide
SMILESCc1ccc(CN(C=O)Cc2ccccc2)nc1
InChIInChI=1S/C15H16N2O/c1-13-7-8-15(16-9-13)11-17(12-18)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3
InChIKeyNJJAKINQEPRQBC-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713
benzyl-(5-methyl-2-pyridinyl)carbamothioic S-acid
CID 88786150
(E)-N-ethyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine;(E)-N-methyl-N,N',N'-tris[(5-methyl-2-pyridinyl)methyl]ethene-1,2-diamine
CID 67323715
N-methyl-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 58662142
N-benzyl-N-[(3-fluorophenyl)methyl]formamide
CID 87852455
N-benzyl-N-[(3-bromophenyl)methyl]formamide
CID 87851902
2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol
CID 89397943
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide
CID 134849487
1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 66458905

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide?
The IUPAC name of N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide (CID 169111032) is N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide is Cc1ccc(CN(C=O)Cc2ccccc2)nc1.
What is the InChIKey of N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide?
The InChIKey is NJJAKINQEPRQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-13-7-8-15(16-9-13)11-17(12-18)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3.
What are the key properties of N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide?
N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide has a molecular weight of 240.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 169111032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).