3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide

C12H14Cl2N2O2 — CID 114751194

IUPAC3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c13-8-1-2-9(14)16-10(8)11(18)15-7-12(3-4-12)5-6-17/h1-2,17H,3-7H2,(H,15,18)
InChIKeyHNZKKJFWSBKOFH-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.28
Rot. Bonds5

About 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide

3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide (PubChem CID 114751194) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
PubChem CID114751194
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c13-8-1-2-9(14)16-10(8)11(18)15-7-12(3-4-12)5-6-17/h1-2,17H,3-7H2,(H,15,18)
InChIKeyHNZKKJFWSBKOFH-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097
3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832
3,6-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79038761
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
CID 71981848
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793
2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 106994170
3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
CID 115878600
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide (CID 114751194) is 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide is O=C(NCC1(CCO)CC1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The InChIKey is HNZKKJFWSBKOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-8-1-2-9(14)16-10(8)11(18)15-7-12(3-4-12)5-6-17/h1-2,17H,3-7H2,(H,15,18).
What are the key properties of 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 114751194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).