2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

C13H18ClN3O2 — CID 55041802

IUPAC2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-2-17(8-10-4-3-5-19-10)13(18)9-6-11(14)16-12(15)7-9/h6-7,10H,2-5,8H2,1H3,(H2,15,16)
InChIKeyZITZFAKGHJTSOT-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 55041802) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID55041802
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-2-17(8-10-4-3-5-19-10)13(18)9-6-11(14)16-12(15)7-9/h6-7,10H,2-5,8H2,1H3,(H2,15,16)
InChIKeyZITZFAKGHJTSOT-UHFFFAOYSA-N
XLogP1.96
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 55041802) is 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CCN(CC1CCCO1)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ZITZFAKGHJTSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17(8-10-4-3-5-19-10)13(18)9-6-11(14)16-12(15)7-9/h6-7,10H,2-5,8H2,1H3,(H2,15,16).
What are the key properties of 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55041802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).