4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid

C14H17ClN2O4 — CID 66463005

IUPAC4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1ccncc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C14H17ClN2O4/c1-2-5-17(12-8-21-7-10(12)14(19)20)13(18)9-3-4-16-6-11(9)15/h3-4,6,10,12H,2,5,7-8H2,1H3,(H,19,20)
InChIKeyMCDVEVUDPFDSQA-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.69
Rot. Bonds5

About 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid

4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66463005) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66463005
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1ccncc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C14H17ClN2O4/c1-2-5-17(12-8-21-7-10(12)14(19)20)13(18)9-3-4-16-6-11(9)15/h3-4,6,10,12H,2,5,7-8H2,1H3,(H,19,20)
InChIKeyMCDVEVUDPFDSQA-UHFFFAOYSA-N
XLogP1.69
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245241
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(5-chloro-2-methylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872052
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66252672
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid (CID 66463005) is 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)c1ccncc1Cl)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is MCDVEVUDPFDSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-2-5-17(12-8-21-7-10(12)14(19)20)13(18)9-3-4-16-6-11(9)15/h3-4,6,10,12H,2,5,7-8H2,1H3,(H,19,20).
What are the key properties of 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 312.75 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66463005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).