3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile

C18H17ClN4O — CID 133350980

IUPAC3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccc2CN2CCCC2=O)ccc1Cl
InChIInChI=1S/C18H17ClN4O/c19-15-7-8-17(22-16(15)10-20)21-11-13-4-1-2-5-14(13)12-23-9-3-6-18(23)24/h1-2,4-5,7-8H,3,6,9,11-12H2,(H,21,22)
InChIKeyHDDOLUMTIZVQFX-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.34
Rot. Bonds5

About 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile

3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 133350980) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID133350980
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccc2CN2CCCC2=O)ccc1Cl
InChIInChI=1S/C18H17ClN4O/c19-15-7-8-17(22-16(15)10-20)21-11-13-4-1-2-5-14(13)12-23-9-3-6-18(23)24/h1-2,4-5,7-8H,3,6,9,11-12H2,(H,21,22)
InChIKeyHDDOLUMTIZVQFX-UHFFFAOYSA-N
XLogP3.34
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile (CID 133350980) is 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile is N#Cc1nc(NCc2ccccc2CN2CCCC2=O)ccc1Cl.
What is the InChIKey of 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is HDDOLUMTIZVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-15-7-8-17(22-16(15)10-20)21-11-13-4-1-2-5-14(13)12-23-9-3-6-18(23)24/h1-2,4-5,7-8H,3,6,9,11-12H2,(H,21,22).
What are the key properties of 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile?
3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 340.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133350980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).