N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide

C20H25N3O3 — CID 51128774

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCOCCOc1ccc(CNC(=O)N2CCC(c3ccccc3)C2)cn1
InChIInChI=1S/C20H25N3O3/c1-25-11-12-26-19-8-7-16(13-21-19)14-22-20(24)23-10-9-18(15-23)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,22,24)
InChIKeySGTLZPKSJYOPBC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.81
Rot. Bonds7

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 51128774) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID51128774
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCOCCOc1ccc(CNC(=O)N2CCC(c3ccccc3)C2)cn1
InChIInChI=1S/C20H25N3O3/c1-25-11-12-26-19-8-7-16(13-21-19)14-22-20(24)23-10-9-18(15-23)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,22,24)
InChIKeySGTLZPKSJYOPBC-UHFFFAOYSA-N
XLogP2.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723247
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724401
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55744255
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 47062766
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111732303
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901
3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 51131145
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide (CID 51128774) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide is COCCOc1ccc(CNC(=O)N2CCC(c3ccccc3)C2)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is SGTLZPKSJYOPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-11-12-26-19-8-7-16(13-21-19)14-22-20(24)23-10-9-18(15-23)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,22,24).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51128774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).