6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

C20H21N5O — CID 95145761

IUPAC6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCN2CC[C@H](CNc3ccc(C#N)cn3)C2)cc1
InChIInChI=1S/C20H21N5O/c21-11-16-1-4-19(5-2-16)26-10-9-25-8-7-18(15-25)14-24-20-6-3-17(12-22)13-23-20/h1-6,13,18H,7-10,14-15H2,(H,23,24)/t18-/m1/s1
InChIKeyYYCDHKDFVRBWGH-GOSISDBHSA-N
MW347.42 g/mol
LogP2.64
Rot. Bonds7

About 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 95145761) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID95145761
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCN2CC[C@H](CNc3ccc(C#N)cn3)C2)cc1
InChIInChI=1S/C20H21N5O/c21-11-16-1-4-19(5-2-16)26-10-9-25-8-7-18(15-25)14-24-20-6-3-17(12-22)13-23-20/h1-6,13,18H,7-10,14-15H2,(H,23,24)/t18-/m1/s1
InChIKeyYYCDHKDFVRBWGH-GOSISDBHSA-N
XLogP2.64
TPSA84.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95154585
4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 115647831
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
6-[[(3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145221
6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95141983
2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95138569
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
CID 174274469
4-[3-(3-aminopyrrolidin-1-yl)propoxy]benzonitrile
CID 67132046
6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 63896552
3-[(3R)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 95142462
4-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethoxy]benzonitrile
CID 60543115

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 95145761) is 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(OCCN2CC[C@H](CNc3ccc(C#N)cn3)C2)cc1.
What is the InChIKey of 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is YYCDHKDFVRBWGH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O/c21-11-16-1-4-19(5-2-16)26-10-9-25-8-7-18(15-25)14-24-20-6-3-17(12-22)13-23-20/h1-6,13,18H,7-10,14-15H2,(H,23,24)/t18-/m1/s1.
What are the key properties of 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95145761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).