6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile

C19H24N6O — CID 10132708

IUPAC6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(NCC(=O)N3CCC[C@H]3C#N)CC2)nc1
InChIInChI=1S/C19H24N6O/c20-10-14-3-8-18(23-12-14)24-16-6-4-15(5-7-16)22-13-19(26)25-9-1-2-17(25)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2,(H,23,24)/t15?,16?,17-/m0/s1
InChIKeyUYMWOBUVWMQNHM-JCYILVPMSA-N
MW352.44 g/mol
LogP1.78
Rot. Bonds5

About 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile

6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile (PubChem CID 10132708) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile
PubChem CID10132708
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(NCC(=O)N3CCC[C@H]3C#N)CC2)nc1
InChIInChI=1S/C19H24N6O/c20-10-14-3-8-18(23-12-14)24-16-6-4-15(5-7-16)22-13-19(26)25-9-1-2-17(25)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2,(H,23,24)/t15?,16?,17-/m0/s1
InChIKeyUYMWOBUVWMQNHM-JCYILVPMSA-N
XLogP1.78
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile (CID 10132708) is 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCC(NCC(=O)N3CCC[C@H]3C#N)CC2)nc1.
What is the InChIKey of 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile?
The InChIKey is UYMWOBUVWMQNHM-JCYILVPMSA-N. The full InChI is InChI=1S/C19H24N6O/c20-10-14-3-8-18(23-12-14)24-16-6-4-15(5-7-16)22-13-19(26)25-9-1-2-17(25)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2,(H,23,24)/t15?,16?,17-/m0/s1.
What are the key properties of 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile?
6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 10132708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).