5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid

C12H17N3O3 — CID 63154540

IUPAC5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
SMILESCCNCC(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-3-13-5-8(2)11(16)15-10-4-9(12(17)18)6-14-7-10/h4,6-8,13H,3,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCIDOOIQRPXTIFR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.96
Rot. Bonds6

About 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid

5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63154540) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
PubChem CID63154540
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
SMILESCCNCC(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-3-13-5-8(2)11(16)15-10-4-9(12(17)18)6-14-7-10/h4,6-8,13H,3,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCIDOOIQRPXTIFR-UHFFFAOYSA-N
XLogP0.96
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62852213
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
CID 55164466
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
3-(ethylamino)-2-methyl-1-pyrimidin-5-ylpropan-1-one
CID 116565208
5-(octan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158184
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid (CID 63154540) is 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid is CCNCC(C)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is CIDOOIQRPXTIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-13-5-8(2)11(16)15-10-4-9(12(17)18)6-14-7-10/h4,6-8,13H,3,5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid?
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).