(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C17H23N3O — CID 125179505

IUPAC(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1C=CCN1
InChIInChI=1S/C17H23N3O/c21-17(16-4-3-9-18-16)19-12-14-5-7-15(8-6-14)13-20-10-1-2-11-20/h3-8,16,18H,1-2,9-13H2,(H,19,21)/t16-/m1/s1
InChIKeyZQRFYFQNZYKZJN-MRXNPFEDSA-N
MW285.39 g/mol
LogP1.43
Rot. Bonds5

About (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125179505) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125179505
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1C=CCN1
InChIInChI=1S/C17H23N3O/c21-17(16-4-3-9-18-16)19-12-14-5-7-15(8-6-14)13-20-10-1-2-11-20/h3-8,16,18H,1-2,9-13H2,(H,19,21)/t16-/m1/s1
InChIKeyZQRFYFQNZYKZJN-MRXNPFEDSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154903655
N-[(4-cyanophenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 21131950
N-[(4-cyanophenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 162330438
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31592161
2-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 18119455
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
(2S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125441211
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
(2S)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125443999
1-(cyclopropanecarbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 31642647
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119836209

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125179505) is (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1C=CCN1.
What is the InChIKey of (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is ZQRFYFQNZYKZJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(16-4-3-9-18-16)19-12-14-5-7-15(8-6-14)13-20-10-1-2-11-20/h3-8,16,18H,1-2,9-13H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125179505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).