N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide

C18H22ClN3O2 — CID 14441128

IUPACN-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide
SMILESO=C1CCCN1C(=O)NCCN1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-16-5-3-14(4-6-16)15-7-11-21(12-8-15)13-9-20-18(24)22-10-1-2-17(22)23/h3-7H,1-2,8-13H2,(H,20,24)
InChIKeyPGURBAIWSXYMOW-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.76
Rot. Bonds4

About N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide

N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide (PubChem CID 14441128) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide
PubChem CID14441128
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide
SMILESO=C1CCCN1C(=O)NCCN1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-16-5-3-14(4-6-16)15-7-11-21(12-8-15)13-9-20-18(24)22-10-1-2-17(22)23/h3-7H,1-2,8-13H2,(H,20,24)
InChIKeyPGURBAIWSXYMOW-UHFFFAOYSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide
CID 15232750
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 90752965
1-(4-benzylphenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 10251306
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
1-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethylamino]-1-[(5Z,7E)-4,9-dihydro-1H-1,3-diazonin-7-yl]ethanol
CID 143375531
1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride
CID 67770521
1-(1,3-benzodioxol-5-yl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 14970532
4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;hydrochloride
CID 70593621
4-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexyl]-4-cyanobutanamide
CID 91408417
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide (CID 14441128) is N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide is O=C1CCCN1C(=O)NCCN1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide?
The InChIKey is PGURBAIWSXYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-16-5-3-14(4-6-16)15-7-11-21(12-8-15)13-9-20-18(24)22-10-1-2-17(22)23/h3-7H,1-2,8-13H2,(H,20,24).
What are the key properties of N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide?
N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 14441128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).