6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C15H16ClN3O2 — CID 61052322

IUPAC6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H16ClN3O2/c1-21-9-8-19(11-13-4-2-3-7-17-13)15(20)12-5-6-14(16)18-10-12/h2-7,10H,8-9,11H2,1H3
InChIKeyPNLCBHFZKJCZJN-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.42
Rot. Bonds6

About 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 61052322) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID61052322
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H16ClN3O2/c1-21-9-8-19(11-13-4-2-3-7-17-13)15(20)12-5-6-14(16)18-10-12/h2-7,10H,8-9,11H2,1H3
InChIKeyPNLCBHFZKJCZJN-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60559259
N-(2-methoxyethyl)-4-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 55981418
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
5-iodo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 78949460
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
1-ethyl-N-(2-methoxyethyl)-2-oxo-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 77080615
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 61052322) is 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is COCCN(Cc1ccccn1)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PNLCBHFZKJCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-9-8-19(11-13-4-2-3-7-17-13)15(20)12-5-6-14(16)18-10-12/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 61052322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).