N-[3-(2-pyridin-4-ylethyl)phenyl]formamide

C14H14N2O — CID 168653232

IUPACN-[3-(2-pyridin-4-ylethyl)phenyl]formamide
SMILESO=CNc1cccc(CCc2ccncc2)c1
InChIInChI=1S/C14H14N2O/c17-11-16-14-3-1-2-13(10-14)5-4-12-6-8-15-9-7-12/h1-3,6-11H,4-5H2,(H,16,17)
InChIKeyDAVQWTLQCJGNNB-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.44
Rot. Bonds5

About N-[3-(2-pyridin-4-ylethyl)phenyl]formamide

N-[3-(2-pyridin-4-ylethyl)phenyl]formamide (PubChem CID 168653232) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[3-(2-pyridin-4-ylethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-4-ylethyl)phenyl]formamide
PubChem CID168653232
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-[3-(2-pyridin-4-ylethyl)phenyl]formamide
SMILESO=CNc1cccc(CCc2ccncc2)c1
InChIInChI=1S/C14H14N2O/c17-11-16-14-3-1-2-13(10-14)5-4-12-6-8-15-9-7-12/h1-3,6-11H,4-5H2,(H,16,17)
InChIKeyDAVQWTLQCJGNNB-UHFFFAOYSA-N
XLogP2.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[3-[(5-methylimidazol-1-yl)methyl]phenyl]formamide
CID 143246206
4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
CID 58825419
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide
CID 46968973
N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide
CID 88503878
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide
CID 88630078
2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
CID 143980464
2-pyridin-4-ylacetaldehyde
CID 18688704
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
N-methylmethanamine;2-pyridin-4-ylacetaldehyde
CID 144882029

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-4-ylethyl)phenyl]formamide?
The IUPAC name of N-[3-(2-pyridin-4-ylethyl)phenyl]formamide (CID 168653232) is N-[3-(2-pyridin-4-ylethyl)phenyl]formamide.
What is the SMILES notation for N-[3-(2-pyridin-4-ylethyl)phenyl]formamide?
The canonical SMILES for N-[3-(2-pyridin-4-ylethyl)phenyl]formamide is O=CNc1cccc(CCc2ccncc2)c1.
What is the InChIKey of N-[3-(2-pyridin-4-ylethyl)phenyl]formamide?
The InChIKey is DAVQWTLQCJGNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-11-16-14-3-1-2-13(10-14)5-4-12-6-8-15-9-7-12/h1-3,6-11H,4-5H2,(H,16,17).
What are the key properties of N-[3-(2-pyridin-4-ylethyl)phenyl]formamide?
N-[3-(2-pyridin-4-ylethyl)phenyl]formamide has a molecular weight of 226.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-4-ylethyl)phenyl]formamide is sourced from PubChem (CID 168653232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).