N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide

C16H18N2O3 — CID 71994221

IUPACN-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
SMILESCOc1ccc(OC(C)CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O3/c1-12(21-15-5-3-14(20-2)4-6-15)11-18-16(19)13-7-9-17-10-8-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyGQMXRJCVYRWGCG-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide

N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide (PubChem CID 71994221) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
PubChem CID71994221
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
SMILESCOc1ccc(OC(C)CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O3/c1-12(21-15-5-3-14(20-2)4-6-15)11-18-16(19)13-7-9-17-10-8-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyGQMXRJCVYRWGCG-UHFFFAOYSA-N
XLogP2.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
CID 108539918
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
CID 114302740
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
CID 114310033
N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide
CID 90817145
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide (CID 71994221) is N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide is COc1ccc(OC(C)CNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide?
The InChIKey is GQMXRJCVYRWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(21-15-5-3-14(20-2)4-6-15)11-18-16(19)13-7-9-17-10-8-13/h3-10,12H,11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide?
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 71994221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).