N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide

C18H22N2O4 — CID 87002549

IUPACN-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
SMILESCOCCOCCCNC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H22N2O4/c1-22-12-13-23-11-5-10-19-18(21)15-8-9-17(20-14-15)24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,19,21)
InChIKeyOSUNOJYCUNNPFZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.66
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide

N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 87002549) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
PubChem CID87002549
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
SMILESCOCCOCCCNC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H22N2O4/c1-22-12-13-23-11-5-10-19-18(21)15-8-9-17(20-14-15)24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,19,21)
InChIKeyOSUNOJYCUNNPFZ-UHFFFAOYSA-N
XLogP2.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 87002133
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
CID 78888100
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850
N-(3-methoxypropyl)-4-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116798
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide (CID 87002549) is N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide is COCCOCCCNC(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is OSUNOJYCUNNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-12-13-23-11-5-10-19-18(21)15-8-9-17(20-14-15)24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,19,21).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 87002549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).