N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide

C20H21N3O2 — CID 74765807

IUPACN-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C20H21N3O2/c1-14(24)22-19(20(25)23-11-5-9-17(23)13-21)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17,19H,5,9,11-12H2,1H3,(H,22,24)/t17-,19-/m0/s1
InChIKeyYDSQUAOFGBGBCR-HKUYNNGSSA-N
MW335.41 g/mol
LogP2.40
Rot. Bonds4

About N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide (PubChem CID 74765807) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide
PubChem CID74765807
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C20H21N3O2/c1-14(24)22-19(20(25)23-11-5-9-17(23)13-21)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17,19H,5,9,11-12H2,1H3,(H,22,24)/t17-,19-/m0/s1
InChIKeyYDSQUAOFGBGBCR-HKUYNNGSSA-N
XLogP2.40
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2S)-2-cyanopyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 57340460
(E)-N-[1-[(2S)-2-cyanopyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 57340462
(2S)-1-[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 12002638
N-[(2S)-1-(2-cyanopyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-methoxybenzamide
CID 66777341
(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
CID 73353424
(2S)-1-[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carbonitrile
CID 72697063
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)-4-oxobutanoyl]pyrrolidine-2-carbonitrile
CID 70330522
1-[2,3-bis(methylamino)propanoyl]pyrrolidine-2-carbonitrile
CID 58719540
4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 3226999
(2S)-1-[(2S)-2-anilino-3,3-dimethylbutanoyl]pyrrolidine-2-carbonitrile
CID 150739989
N-[(4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-(2-formylpyrrolidin-1-yl)-5-oxopentyl]-5-(diaminomethylideneamino)-2-[[2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]pentanamide
CID 89098577
(3S)-4-[(2S)-2-cyanopyrrolidin-1-yl]-3-(methylamino)-4-oxobutanamide
CID 71160017

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide (CID 74765807) is N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C#N.
What is the InChIKey of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide?
The InChIKey is YDSQUAOFGBGBCR-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(24)22-19(20(25)23-11-5-9-17(23)13-21)12-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17,19H,5,9,11-12H2,1H3,(H,22,24)/t17-,19-/m0/s1.
What are the key properties of N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-naphthalen-1-yl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 74765807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).