6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile

C15H18N6O — CID 87791280

IUPAC6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCC(NCC(=O)N1CCCC1C#N)Nc1ccc(C#N)cn1
InChIInChI=1S/C15H18N6O/c1-11(20-14-5-4-12(7-16)9-19-14)18-10-15(22)21-6-2-3-13(21)8-17/h4-5,9,11,13,18H,2-3,6,10H2,1H3,(H,19,20)
InChIKeyUTSPFVASOCPLST-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.82
Rot. Bonds5

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

6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 87791280) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID87791280
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCC(NCC(=O)N1CCCC1C#N)Nc1ccc(C#N)cn1
InChIInChI=1S/C15H18N6O/c1-11(20-14-5-4-12(7-16)9-19-14)18-10-15(22)21-6-2-3-13(21)8-17/h4-5,9,11,13,18H,2-3,6,10H2,1H3,(H,19,20)
InChIKeyUTSPFVASOCPLST-UHFFFAOYSA-N
XLogP0.82
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[[(1R,4S)-4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopent-2-en-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483521
6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 69483338
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
CID 139926624
6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483161
6-[2-[[1-(2-cyanopyrrolidin-1-yl)-2-hydroxyethylidene]amino]ethylamino]pyridine-3-carbonitrile
CID 91282505
1-[2-[(5-cyano-2-pyridinyl)amino]ethyl-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]oxyethyl acetate
CID 10180967
6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 91182310
6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 152939473
4-cyano-N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-bicyclo[2.2.2]octanyl]benzenesulfonamide
CID 11626376
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
(2S)-1-[2-[1-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-ylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66763120

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile (CID 87791280) is 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile is CC(NCC(=O)N1CCCC1C#N)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is UTSPFVASOCPLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(20-14-5-4-12(7-16)9-19-14)18-10-15(22)21-6-2-3-13(21)8-17/h4-5,9,11,13,18H,2-3,6,10H2,1H3,(H,19,20).
What are the key properties of 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 87791280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).