N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide

C16H18N2O3 — CID 110793787

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-10-11-21-14-7-5-13(6-8-14)12-18-16(19)15-4-2-3-9-17-15/h2-9H,10-12H2,1H3,(H,18,19)
InChIKeySVBORGLQPPKWPV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.04
Rot. Bonds7

About N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 110793787) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
PubChem CID110793787
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-10-11-21-14-7-5-13(6-8-14)12-18-16(19)15-4-2-3-9-17-15/h2-9H,10-12H2,1H3,(H,18,19)
InChIKeySVBORGLQPPKWPV-UHFFFAOYSA-N
XLogP2.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 55662586
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 164536999
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
3-benzyl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55662834
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide (CID 110793787) is N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide is COCCOc1ccc(CNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is SVBORGLQPPKWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-10-11-21-14-7-5-13(6-8-14)12-18-16(19)15-4-2-3-9-17-15/h2-9H,10-12H2,1H3,(H,18,19).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110793787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).