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

C12H16ClN3O2 — CID 55041713

IUPAC2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c1-16(7-9-3-2-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h5-6,9H,2-4,7H2,1H3,(H2,14,15)
InChIKeyWNAQUZFESIQJEH-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.57
Rot. Bonds3

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

2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 55041713) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID55041713
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c1-16(7-9-3-2-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h5-6,9H,2-4,7H2,1H3,(H2,14,15)
InChIKeyWNAQUZFESIQJEH-UHFFFAOYSA-N
XLogP1.57
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.57
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-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 55041713) is 2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CN(CC1CCCO1)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WNAQUZFESIQJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-16(7-9-3-2-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h5-6,9H,2-4,7H2,1H3,(H2,14,15).
What are the key properties of 2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.57, 3 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-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55041713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).