2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide

C12H18ClN3O2 — CID 114944144

IUPAC2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H18ClN3O2/c1-4-18-12(2,3)7-15-11(17)8-5-9(13)16-10(14)6-8/h5-6H,4,7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyDJMZYXZCTBRBJD-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114944144) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
PubChem CID114944144
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H18ClN3O2/c1-4-18-12(2,3)7-15-11(17)8-5-9(13)16-10(14)6-8/h5-6H,4,7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyDJMZYXZCTBRBJD-UHFFFAOYSA-N
XLogP1.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 3683537
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55041654
2-amino-6-chloro-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 55041686
2-amino-6-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55042181
2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55042919
2-amino-6-chloro-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 55043536
2-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55047028
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 60730879
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
2-amino-6-chloro-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152711
2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62153591
2-amino-6-chloro-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 62155396

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide (CID 114944144) is 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide is CCOC(C)(C)CNC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is DJMZYXZCTBRBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-18-12(2,3)7-15-11(17)8-5-9(13)16-10(14)6-8/h5-6H,4,7H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114944144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).