5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide

C11H12Cl2N2O — CID 22830772

IUPAC5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C11H12Cl2N2O/c1-6(7-2-3-7)15-11(16)8-4-9(12)10(13)14-5-8/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyLWZHEPYGNAMIFT-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.92
Rot. Bonds3

About 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide

5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide (PubChem CID 22830772) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
PubChem CID22830772
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C11H12Cl2N2O/c1-6(7-2-3-7)15-11(16)8-4-9(12)10(13)14-5-8/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyLWZHEPYGNAMIFT-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
CID 62697669
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 78926017
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide (CID 22830772) is 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide is CC(NC(=O)c1cnc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide?
The InChIKey is LWZHEPYGNAMIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-6(7-2-3-7)15-11(16)8-4-9(12)10(13)14-5-8/h4-7H,2-3H2,1H3,(H,15,16).
What are the key properties of 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 22830772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).