3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide

C17H15Cl2N3O2 — CID 39516427

IUPAC3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2N3O2/c18-13-6-7-14(19)21-16(13)17(24)20-10-11-3-1-4-12(9-11)22-8-2-5-15(22)23/h1,3-4,6-7,9H,2,5,8,10H2,(H,20,24)
InChIKeyIKMCSACTJNTWNU-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.45
Rot. Bonds4

About 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide

3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 39516427) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID39516427
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2N3O2/c18-13-6-7-14(19)21-16(13)17(24)20-10-11-3-1-4-12(9-11)22-8-2-5-15(22)23/h1,3-4,6-7,9H,2,5,8,10H2,(H,20,24)
InChIKeyIKMCSACTJNTWNU-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.45
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

4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 166216311
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 39004011
5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
CID 39003243
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide (CID 39516427) is 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1cccc(N2CCCC2=O)c1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is IKMCSACTJNTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-13-6-7-14(19)21-16(13)17(24)20-10-11-3-1-4-12(9-11)22-8-2-5-15(22)23/h1,3-4,6-7,9H,2,5,8,10H2,(H,20,24).
What are the key properties of 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 364.23 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 39516427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).