2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide

C11H12Cl2N2O — CID 114918866

IUPAC2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCC1CC1CNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-6-2-7(6)4-15-11(16)8-3-10(13)14-5-9(8)12/h3,5-7H,2,4H2,1H3,(H,15,16)
InChIKeySZUDOXOYBCRPOU-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.77
Rot. Bonds3

About 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide

2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 114918866) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID114918866
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCC1CC1CNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-6-2-7(6)4-15-11(16)8-3-10(13)14-5-9(8)12/h3,5-7H,2,4H2,1H3,(H,15,16)
InChIKeySZUDOXOYBCRPOU-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918550
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685133

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide (CID 114918866) is 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide is CC1CC1CNC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is SZUDOXOYBCRPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-6-2-7(6)4-15-11(16)8-3-10(13)14-5-9(8)12/h3,5-7H,2,4H2,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).