3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide

C10H12Cl2N2O — CID 104555833

IUPAC3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCC(CCl)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-7(5-11)14(2)10(15)8-3-4-13-6-9(8)12/h3-4,6-7H,5H2,1-2H3
InChIKeyDIEIRPLOFJBURA-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.43
Rot. Bonds3

About 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide

3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide (PubChem CID 104555833) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
PubChem CID104555833
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCC(CCl)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-7(5-11)14(2)10(15)8-3-4-13-6-9(8)12/h3-4,6-7H,5H2,1-2H3
InChIKeyDIEIRPLOFJBURA-UHFFFAOYSA-N
XLogP2.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66463013
3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 79493993
3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112551650
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide (CID 104555833) is 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide is CC(CCl)N(C)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is DIEIRPLOFJBURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-7(5-11)14(2)10(15)8-3-4-13-6-9(8)12/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide?
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 247.12 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 104555833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).