3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide

C14H22ClN3O2 — CID 62165038

IUPAC3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCCCOCC)n1
InChIInChI=1S/C14H22ClN3O2/c1-3-8-16-12-7-6-11(15)13(18-12)14(19)17-9-5-10-20-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIWLWWSKZKMMPOV-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.71
Rot. Bonds9

About 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62165038) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62165038
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCCCOCC)n1
InChIInChI=1S/C14H22ClN3O2/c1-3-8-16-12-7-6-11(15)13(18-12)14(19)17-9-5-10-20-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIWLWWSKZKMMPOV-UHFFFAOYSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide (CID 62165038) is 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)NCCCOCC)n1.
What is the InChIKey of 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is IWLWWSKZKMMPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-8-16-12-7-6-11(15)13(18-12)14(19)17-9-5-10-20-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62165038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).