3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

C14H14ClN3O2 — CID 47378058

IUPAC3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)n1
InChIInChI=1S/C14H14ClN3O2/c1-3-20-12-8-7-10(15)13(18-12)14(19)17-11-6-4-5-9(2)16-11/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyLIOUTZNWDBXNLS-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.09
Rot. Bonds4

About 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 47378058) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID47378058
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)n1
InChIInChI=1S/C14H14ClN3O2/c1-3-20-12-8-7-10(15)13(18-12)14(19)17-11-6-4-5-9(2)16-11/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyLIOUTZNWDBXNLS-UHFFFAOYSA-N
XLogP3.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 47378058) is 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)n1.
What is the InChIKey of 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is LIOUTZNWDBXNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-3-20-12-8-7-10(15)13(18-12)14(19)17-11-6-4-5-9(2)16-11/h4-8H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 47378058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).