N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

C18H21N3O4 — CID 108926070

IUPACN-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCOCC(=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C18H21N3O4/c1-24-9-10-25-13-17(22)20-12-14-5-2-3-7-16(14)21-18(23)15-6-4-8-19-11-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeySBCYKMHWVRBRRL-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.61
Rot. Bonds9

About N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926070) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926070
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCOCC(=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C18H21N3O4/c1-24-9-10-25-13-17(22)20-12-14-5-2-3-7-16(14)21-18(23)15-6-4-8-19-11-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeySBCYKMHWVRBRRL-UHFFFAOYSA-N
XLogP1.61
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925892
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108926070) is N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is COCCOCC(=O)NCc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is SBCYKMHWVRBRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-9-10-25-13-17(22)20-12-14-5-2-3-7-16(14)21-18(23)15-6-4-8-19-11-15/h2-8,11H,9-10,12-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).