2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

C12H18ClN3O2 — CID 114924026

IUPAC2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-16(7-12(2,3)18)11(17)8-5-10(14)15-6-9(8)13/h5-6,18H,4,7H2,1-3H3,(H2,14,15)
InChIKeyKBNKNRVATLLOIB-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114924026) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
PubChem CID114924026
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-16(7-12(2,3)18)11(17)8-5-10(14)15-6-9(8)13/h5-6,18H,4,7H2,1-3H3,(H2,14,15)
InChIKeyKBNKNRVATLLOIB-UHFFFAOYSA-N
XLogP1.55
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
CID 79381069
2-amino-5-chloro-N-ethyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 114922711
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690
2-amino-5-chloro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922159
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 111596458
2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922590
2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922544
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-chloropyridine-4-carboxamide
CID 114924235

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (CID 114924026) is 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is KBNKNRVATLLOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-16(7-12(2,3)18)11(17)8-5-10(14)15-6-9(8)13/h5-6,18H,4,7H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114924026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).