2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid

C12H14N2O4 — CID 82733799

IUPAC2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ncccc1C(=O)O)C1CCOC1
InChIInChI=1S/C12H14N2O4/c1-14(8-4-6-18-7-8)11(15)10-9(12(16)17)3-2-5-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,16,17)
InChIKeySZYNTZCPRYXSFF-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.64
Rot. Bonds3

About 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid

2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 82733799) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID82733799
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ncccc1C(=O)O)C1CCOC1
InChIInChI=1S/C12H14N2O4/c1-14(8-4-6-18-7-8)11(15)10-9(12(16)17)3-2-5-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,16,17)
InChIKeySZYNTZCPRYXSFF-UHFFFAOYSA-N
XLogP0.64
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 82754485
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid
CID 104601736
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63069334
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614111
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid (CID 82733799) is 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid is CN(C(=O)c1ncccc1C(=O)O)C1CCOC1.
What is the InChIKey of 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is SZYNTZCPRYXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-14(8-4-6-18-7-8)11(15)10-9(12(16)17)3-2-5-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82733799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).