2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide

C14H17N5O2 — CID 69032484

IUPAC2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide
SMILESN#CC1CCCN1C(=O)CNCC(=O)Nc1ccncc1
InChIInChI=1S/C14H17N5O2/c15-8-12-2-1-7-19(12)14(21)10-17-9-13(20)18-11-3-5-16-6-4-11/h3-6,12,17H,1-2,7,9-10H2,(H,16,18,20)
InChIKeyKLYXZBYYZPFOSC-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.12
Rot. Bonds5

About 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide

2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide (PubChem CID 69032484) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide
PubChem CID69032484
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide
SMILESN#CC1CCCN1C(=O)CNCC(=O)Nc1ccncc1
InChIInChI=1S/C14H17N5O2/c15-8-12-2-1-7-19(12)14(21)10-17-9-13(20)18-11-3-5-16-6-4-11/h3-6,12,17H,1-2,7,9-10H2,(H,16,18,20)
InChIKeyKLYXZBYYZPFOSC-UHFFFAOYSA-N
XLogP0.12
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
CID 138723008
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 90655557
1-[2-[[5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-bicyclo[3.2.1]octanyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 143174590
1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 142063765
1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767
N-[4-[4-[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]propanoyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 68687161
3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide
CID 68684792
methyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-[4-[[2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]acetyl]amino]phenyl]propanoate
CID 86603484
N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile
CID 66763203
(2S)-1-[2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66762942

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide (CID 69032484) is 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide is N#CC1CCCN1C(=O)CNCC(=O)Nc1ccncc1.
What is the InChIKey of 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide?
The InChIKey is KLYXZBYYZPFOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-8-12-2-1-7-19(12)14(21)10-17-9-13(20)18-11-3-5-16-6-4-11/h3-6,12,17H,1-2,7,9-10H2,(H,16,18,20).
What are the key properties of 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide?
2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 69032484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).