N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide

C13H15ClN2O — CID 164656251

IUPACN-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC=C(Cl)C1
InChIInChI=1S/C13H15ClN2O/c14-12-7-4-8-16(10-12)13(17)15-9-11-5-2-1-3-6-11/h1-3,5-7H,4,8-10H2,(H,15,17)
InChIKeyNXJCEOZGRPYGLE-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.72
Rot. Bonds2

About N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide

N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 164656251) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID164656251
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC=C(Cl)C1
InChIInChI=1S/C13H15ClN2O/c14-12-7-4-8-16(10-12)13(17)15-9-11-5-2-1-3-6-11/h1-3,5-7H,4,8-10H2,(H,15,17)
InChIKeyNXJCEOZGRPYGLE-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide (CID 164656251) is N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCc1ccccc1)N1CCC=C(Cl)C1.
What is the InChIKey of N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is NXJCEOZGRPYGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-7-4-8-16(10-12)13(17)15-9-11-5-2-1-3-6-11/h1-3,5-7H,4,8-10H2,(H,15,17).
What are the key properties of N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide?
N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 164656251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).