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

C15H16ClN3O2 — CID 61052507

IUPAC2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cccnc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-21-10-9-19(11-12-5-2-3-7-17-12)15(20)13-6-4-8-18-14(13)16/h2-8H,9-11H2,1H3
InChIKeyBCAZKQNZQUYELD-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.42
Rot. Bonds6

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

2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 61052507) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID61052507
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cccnc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-21-10-9-19(11-12-5-2-3-7-17-12)15(20)13-6-4-8-18-14(13)16/h2-8H,9-11H2,1H3
InChIKeyBCAZKQNZQUYELD-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

5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509
6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052322
N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 51090979
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
5-iodo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 78949460
N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 55980400
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 61052507) is 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is COCCN(Cc1ccccn1)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BCAZKQNZQUYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-10-9-19(11-12-5-2-3-7-17-12)15(20)13-6-4-8-18-14(13)16/h2-8H,9-11H2,1H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
2-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 2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 61052507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).