3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide

C10H11Cl2N3O3 — CID 170219148

IUPAC3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide
SMILESNc1c(C(=O)NC2COCC2O)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c11-7-1-4(8(13)9(12)15-7)10(17)14-5-2-18-3-6(5)16/h1,5-6,16H,2-3,13H2,(H,14,17)
InChIKeyXMRGASJENMSODX-UHFFFAOYSA-N
MW292.12 g/mol
LogP0.46
Rot. Bonds2

About 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide

3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide (PubChem CID 170219148) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide
PubChem CID170219148
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC Name3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide
SMILESNc1c(C(=O)NC2COCC2O)cc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c11-7-1-4(8(13)9(12)15-7)10(17)14-5-2-18-3-6(5)16/h1,5-6,16H,2-3,13H2,(H,14,17)
InChIKeyXMRGASJENMSODX-UHFFFAOYSA-N
XLogP0.46
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-chloro-3-[[(4S)-4-hydroxyoxolan-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 139373555
3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 150536547
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82833163
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
CID 114089621
7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
CID 156607520
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130674365
5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
CID 130697664
3-amino-2-chloro-N,6-dimethylpyridine-4-carboxamide
CID 169154520
(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
CID 130729685
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide (CID 170219148) is 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide is Nc1c(C(=O)NC2COCC2O)cc(Cl)nc1Cl.
What is the InChIKey of 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide?
The InChIKey is XMRGASJENMSODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c11-7-1-4(8(13)9(12)15-7)10(17)14-5-2-18-3-6(5)16/h1,5-6,16H,2-3,13H2,(H,14,17).
What are the key properties of 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide?
3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide has a molecular weight of 292.12 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 170219148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).