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

C14H13Cl2N3O — CID 106994204

IUPAC2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-2-9-4-3-7-17-11(9)8-18-14(20)10-5-6-12(15)19-13(10)16/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyJCBQLCHNSZWJEU-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.28
Rot. Bonds4

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

2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 106994204) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID106994204
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-2-9-4-3-7-17-11(9)8-18-14(20)10-5-6-12(15)19-13(10)16/h3-7H,2,8H2,1H3,(H,18,20)
InChIKeyJCBQLCHNSZWJEU-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-2-(methylamino)benzamide
CID 82733988
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide (CID 106994204) is 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide is CCc1cccnc1CNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is JCBQLCHNSZWJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-2-9-4-3-7-17-11(9)8-18-14(20)10-5-6-12(15)19-13(10)16/h3-7H,2,8H2,1H3,(H,18,20).
What are the key properties of 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106994204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).