2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide

C15H15ClN2O3 — CID 61041501

IUPAC2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-8-9-21-12-5-2-4-11(10-12)18-15(19)13-6-3-7-17-14(13)16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyQGOCLVOLGJYSDK-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.01
Rot. Bonds6

About 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide

2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 61041501) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
PubChem CID61041501
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-8-9-21-12-5-2-4-11(10-12)18-15(19)13-6-3-7-17-14(13)16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyQGOCLVOLGJYSDK-UHFFFAOYSA-N
XLogP3.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
2-chloro-N-[4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxamide
CID 111113147
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
N-[3-(2-methoxyethoxy)phenyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55959337
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide (CID 61041501) is 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide is COCCOc1cccc(NC(=O)c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is QGOCLVOLGJYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-8-9-21-12-5-2-4-11(10-12)18-15(19)13-6-3-7-17-14(13)16/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide?
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 61041501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).