1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide

C12H20N4O2 — CID 43288895

IUPAC1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)CCN1CCCC1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-15(7-3-6-13)11(17)5-9-16-8-2-4-10(16)12(14)18/h10H,2-5,7-9H2,1H3,(H2,14,18)
InChIKeyYGBHMJIJNCNTKO-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.30
Rot. Bonds6

About 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide

1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 43288895) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID43288895
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)CCN1CCCC1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-15(7-3-6-13)11(17)5-9-16-8-2-4-10(16)12(14)18/h10H,2-5,7-9H2,1H3,(H2,14,18)
InChIKeyYGBHMJIJNCNTKO-UHFFFAOYSA-N
XLogP-0.30
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997
(2S)-1-(2-cyanoethyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 59131193
N-(2-cyanoethyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
CID 103895030
N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 43288810
N-(2-cyanoethyl)-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 107223079
3-(3-azaspiro[5.5]undecan-3-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 62937400
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
1-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 87013528
(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 94800274
N-(2-cyanoethyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropanamide
CID 103533519

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide (CID 43288895) is 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide is CN(CCC#N)C(=O)CCN1CCCC1C(N)=O.
What is the InChIKey of 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is YGBHMJIJNCNTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15(7-3-6-13)11(17)5-9-16-8-2-4-10(16)12(14)18/h10H,2-5,7-9H2,1H3,(H2,14,18).
What are the key properties of 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide?
1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43288895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).