2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide

C12H16Cl2N2O2 — CID 114918195

IUPAC2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-8(2)18-5-3-4-15-12(17)9-6-11(14)16-7-10(9)13/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyHHZRQUMEVARXSV-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.93
Rot. Bonds6

About 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide

2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide (PubChem CID 114918195) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
PubChem CID114918195
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-8(2)18-5-3-4-15-12(17)9-6-11(14)16-7-10(9)13/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyHHZRQUMEVARXSV-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-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

2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 114918295
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 118762672
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide (CID 114918195) is 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide is CC(C)OCCCNC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide?
The InChIKey is HHZRQUMEVARXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(2)18-5-3-4-15-12(17)9-6-11(14)16-7-10(9)13/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).