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

C11H17ClN2O3 — CID 114412227

IUPACN-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC1=CCN(C(=O)NC(=O)C(C)Cl)CC1
InChIInChI=1S/C11H17ClN2O3/c1-8(12)10(15)13-11(16)14-5-3-9(4-6-14)7-17-2/h3,8H,4-7H2,1-2H3,(H,13,15,16)
InChIKeyIZRBGDQHHQXPEH-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.13
Rot. Bonds3

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

N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 114412227) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID114412227
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC NameN-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC1=CCN(C(=O)NC(=O)C(C)Cl)CC1
InChIInChI=1S/C11H17ClN2O3/c1-8(12)10(15)13-11(16)14-5-3-9(4-6-14)7-17-2/h3,8H,4-7H2,1-2H3,(H,13,15,16)
InChIKeyIZRBGDQHHQXPEH-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 114412227) is N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COCC1=CCN(C(=O)NC(=O)C(C)Cl)CC1.
What is the InChIKey of N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is IZRBGDQHHQXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c1-8(12)10(15)13-11(16)14-5-3-9(4-6-14)7-17-2/h3,8H,4-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 114412227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).