N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C10H15ClN2O2 — CID 114412225

IUPACN-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C10H15ClN2O2/c1-8-3-6-13(7-4-8)10(15)12-9(14)2-5-11/h3H,2,4-7H2,1H3,(H,12,14,15)
InChIKeyUFDVQIIJDQPMQH-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.50
Rot. Bonds2

About N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 114412225) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID114412225
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC NameN-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C10H15ClN2O2/c1-8-3-6-13(7-4-8)10(15)12-9(14)2-5-11/h3H,2,4-7H2,1H3,(H,12,14,15)
InChIKeyUFDVQIIJDQPMQH-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 114412225) is N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)NC(=O)CCCl)CC1.
What is the InChIKey of N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UFDVQIIJDQPMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-8-3-6-13(7-4-8)10(15)12-9(14)2-5-11/h3H,2,4-7H2,1H3,(H,12,14,15).
What are the key properties of N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 230.69 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 114412225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).