(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide

C17H24N4O — CID 95783482

IUPAC(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCCN(C)C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H24N4O/c1-3-8-20(2)12-15-7-9-21(13-15)17(22)19-16-6-4-5-14(10-16)11-18/h4-6,10,15H,3,7-9,12-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyMCCDZOGYKIEDPT-HNNXBMFYSA-N
MW300.41 g/mol
LogP2.75
Rot. Bonds5

About (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide

(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 95783482) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID95783482
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCCN(C)C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H24N4O/c1-3-8-20(2)12-15-7-9-21(13-15)17(22)19-16-6-4-5-14(10-16)11-18/h4-6,10,15H,3,7-9,12-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyMCCDZOGYKIEDPT-HNNXBMFYSA-N
XLogP2.75
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
CID 75423322
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119895929
(3R,4R)-N-(3-cyanophenyl)-3-(dimethylamino)-4-methylsulfanylpyrrolidine-1-carboxamide
CID 97328470
N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
CID 84599104

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide (CID 95783482) is (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide is CCCN(C)C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is MCCDZOGYKIEDPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-8-20(2)12-15-7-9-21(13-15)17(22)19-16-6-4-5-14(10-16)11-18/h4-6,10,15H,3,7-9,12-13H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95783482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).