(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide

C16H19N3O2 — CID 51493155

IUPAC(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCN2)ccc1-n1cccc1
InChIInChI=1S/C16H19N3O2/c1-21-15-11-12(18-16(20)13-5-4-8-17-13)6-7-14(15)19-9-2-3-10-19/h2-3,6-7,9-11,13,17H,4-5,8H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyLPLSVXFVGNDDKB-CYBMUJFWSA-N
MW285.35 g/mol
LogP2.18
Rot. Bonds4

About (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 51493155) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID51493155
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCN2)ccc1-n1cccc1
InChIInChI=1S/C16H19N3O2/c1-21-15-11-12(18-16(20)13-5-4-8-17-13)6-7-14(15)19-9-2-3-10-19/h2-3,6-7,9-11,13,17H,4-5,8H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyLPLSVXFVGNDDKB-CYBMUJFWSA-N
XLogP2.18
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 51493155) is (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is COc1cc(NC(=O)[C@H]2CCCN2)ccc1-n1cccc1.
What is the InChIKey of (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is LPLSVXFVGNDDKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-15-11-12(18-16(20)13-5-4-8-17-13)6-7-14(15)19-9-2-3-10-19/h2-3,6-7,9-11,13,17H,4-5,8H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51493155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).