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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Related Compounds

2-[[2-[(2-oxopyrrolidin-1-yl)methyl]anilino]methylidene]propanedinitrile
CID 168544160
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169340557
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
1-[[2-[[5-chloro-2-nitro-4-(trifluoromethyl)anilino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 46405123
1-[[4-[2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]phenyl]methyl]pyrrolidin-2-one
CID 51113304
3-chloro-4-[(2-oxoazocan-1-yl)methyl]benzonitrile
CID 102665626
3-nitro-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-2-carbonitrile
CID 133499948
1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 86979298
1-[[2-[[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 72921710
3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133351338
3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 119136114
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
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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).