3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide

C14H13Cl2N3O2 — CID 38539806

IUPAC3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-2-21-14-9(4-3-7-17-14)8-18-13(20)12-10(15)5-6-11(16)19-12/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyBSRMYYDCIPGVMH-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.11
Rot. Bonds5

About 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide

3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 38539806) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID38539806
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-2-21-14-9(4-3-7-17-14)8-18-13(20)12-10(15)5-6-11(16)19-12/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyBSRMYYDCIPGVMH-UHFFFAOYSA-N
XLogP3.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55761433
N-[(2-ethoxy-3-pyridinyl)methyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
CID 119052185
6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
CID 64694581

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 38539806) is 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide is CCOc1ncccc1CNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is BSRMYYDCIPGVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-2-21-14-9(4-3-7-17-14)8-18-13(20)12-10(15)5-6-11(16)19-12/h3-7H,2,8H2,1H3,(H,18,20).
What are the key properties of 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 38539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).