6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile

C14H16N6O — CID 139926624

IUPAC6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@H](N)C(=O)N2CCC[C@H]2C#N)nc1
InChIInChI=1S/C14H16N6O/c15-6-10-3-4-13(18-8-10)19-9-12(17)14(21)20-5-1-2-11(20)7-16/h3-4,8,11-12H,1-2,5,9,17H2,(H,18,19)/t11-,12-/m0/s1
InChIKeyGYRDIXUDUANOPK-RYUDHWBXSA-N
MW284.32 g/mol
LogP0.21
Rot. Bonds4

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

6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile (PubChem CID 139926624) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
PubChem CID139926624
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@H](N)C(=O)N2CCC[C@H]2C#N)nc1
InChIInChI=1S/C14H16N6O/c15-6-10-3-4-13(18-8-10)19-9-12(17)14(21)20-5-1-2-11(20)7-16/h3-4,8,11-12H,1-2,5,9,17H2,(H,18,19)/t11-,12-/m0/s1
InChIKeyGYRDIXUDUANOPK-RYUDHWBXSA-N
XLogP0.21
TPSA118.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile (CID 139926624) is 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC[C@H](N)C(=O)N2CCC[C@H]2C#N)nc1.
What is the InChIKey of 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile?
The InChIKey is GYRDIXUDUANOPK-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H16N6O/c15-6-10-3-4-13(18-8-10)19-9-12(17)14(21)20-5-1-2-11(20)7-16/h3-4,8,11-12H,1-2,5,9,17H2,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile?
6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 139926624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).