2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide

C18H18ClN3O2 — CID 47043433

IUPAC2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C18H18ClN3O2/c19-16-11-14(8-9-20-16)18(24)21-15(13-5-2-1-3-6-13)12-22-10-4-7-17(22)23/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,24)
InChIKeyTTWWEZXMXMKCGI-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.83
Rot. Bonds5

About 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide

2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 47043433) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
PubChem CID47043433
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C18H18ClN3O2/c19-16-11-14(8-9-20-16)18(24)21-15(13-5-2-1-3-6-13)12-22-10-4-7-17(22)23/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,24)
InChIKeyTTWWEZXMXMKCGI-UHFFFAOYSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 47043413
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049
3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 155960651
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 126770678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide (CID 47043433) is 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide is O=C(NC(CN1CCCC1=O)c1ccccc1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is TTWWEZXMXMKCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-16-11-14(8-9-20-16)18(24)21-15(13-5-2-1-3-6-13)12-22-10-4-7-17(22)23/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,24).
What are the key properties of 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 47043433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).