5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid

C12H17N3O4 — CID 63158042

IUPAC5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)N(CCO)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H17N3O4/c1-8(2)15(3-4-16)12(19)14-10-5-9(11(17)18)6-13-7-10/h5-8,16H,3-4H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyMKVJEDVLEJNYDO-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.01
Rot. Bonds5

About 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63158042) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63158042
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)N(CCO)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C12H17N3O4/c1-8(2)15(3-4-16)12(19)14-10-5-9(11(17)18)6-13-7-10/h5-8,16H,3-4H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyMKVJEDVLEJNYDO-UHFFFAOYSA-N
XLogP1.01
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
2-[4-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 54994977
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107265702
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 63158042) is 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid is CC(C)N(CCO)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is MKVJEDVLEJNYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)15(3-4-16)12(19)14-10-5-9(11(17)18)6-13-7-10/h5-8,16H,3-4H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).