5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid

C11H14ClN3O3 — CID 54950742

IUPAC5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
SMILESCC(Nc1ncc(C(=O)O)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H14ClN3O3/c1-6(10(16)15(2)3)14-9-8(12)4-7(5-13-9)11(17)18/h4-6H,1-3H3,(H,13,14)(H,17,18)
InChIKeyBMVDOFNBSKFLPW-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.32
Rot. Bonds4

About 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid

5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 54950742) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID54950742
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
SMILESCC(Nc1ncc(C(=O)O)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H14ClN3O3/c1-6(10(16)15(2)3)14-9-8(12)4-7(5-13-9)11(17)18/h4-6H,1-3H3,(H,13,14)(H,17,18)
InChIKeyBMVDOFNBSKFLPW-UHFFFAOYSA-N
XLogP1.32
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 103113348
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5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid (CID 54950742) is 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid is CC(Nc1ncc(C(=O)O)cc1Cl)C(=O)N(C)C.
What is the InChIKey of 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is BMVDOFNBSKFLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-6(10(16)15(2)3)14-9-8(12)4-7(5-13-9)11(17)18/h4-6H,1-3H3,(H,13,14)(H,17,18).
What are the key properties of 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid?
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 54950742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).