N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide

C11H14ClN3O3 — CID 75416970

IUPACN-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NC(C)C(N)=O)n1
InChIInChI=1S/C11H14ClN3O3/c1-3-18-8-5-4-7(12)9(15-8)11(17)14-6(2)10(13)16/h4-6H,3H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIHXGLKHNQILOAR-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.74
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide

N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide (PubChem CID 75416970) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide
PubChem CID75416970
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NC(C)C(N)=O)n1
InChIInChI=1S/C11H14ClN3O3/c1-3-18-8-5-4-7(12)9(15-8)11(17)14-6(2)10(13)16/h4-6H,3H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIHXGLKHNQILOAR-UHFFFAOYSA-N
XLogP0.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide (CID 75416970) is N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)NC(C)C(N)=O)n1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
The InChIKey is IHXGLKHNQILOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-18-8-5-4-7(12)9(15-8)11(17)14-6(2)10(13)16/h4-6H,3H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 75416970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).