N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide

C16H18N2O2 — CID 18167302

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
SMILESCOc1cc(CNC(=O)CCc2ccccc2)ccn1
InChIInChI=1S/C16H18N2O2/c1-20-16-11-14(9-10-17-16)12-18-15(19)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,18,19)
InChIKeyPKNLRTQLUZYHAV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.34
Rot. Bonds6

About N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide

N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide (PubChem CID 18167302) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
PubChem CID18167302
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
SMILESCOc1cc(CNC(=O)CCc2ccccc2)ccn1
InChIInChI=1S/C16H18N2O2/c1-20-16-11-14(9-10-17-16)12-18-15(19)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,18,19)
InChIKeyPKNLRTQLUZYHAV-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18155598
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
1-[(2-methoxy-4-pyridinyl)methyl]-3-(4-phenylbutan-2-yl)urea
CID 42891763
2-(4-benzoylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167317
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 18167335
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide (CID 18167302) is N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide is COc1cc(CNC(=O)CCc2ccccc2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide?
The InChIKey is PKNLRTQLUZYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-16-11-14(9-10-17-16)12-18-15(19)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,18,19).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide?
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 18167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).