1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C18H25N3O3 — CID 87005295

IUPAC1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C18H25N3O3/c1-13(22)21-10-4-7-16(21)18(23)20-12-14-8-9-17(19-11-14)24-15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12H2,1H3,(H,20,23)
InChIKeyRGJZEZWRFJMXDI-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.03
Rot. Bonds5

About 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 87005295) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID87005295
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C18H25N3O3/c1-13(22)21-10-4-7-16(21)18(23)20-12-14-8-9-17(19-11-14)24-15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12H2,1H3,(H,20,23)
InChIKeyRGJZEZWRFJMXDI-UHFFFAOYSA-N
XLogP2.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 78890683
(2R)-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923324
methyl 2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 91786063
3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 122030447
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415686
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55967839
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-8-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 167917235
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 55939369
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-(furan-2-yl)pyrazolidine-3-carboxamide
CID 75265566

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 87005295) is 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCc1ccc(OC2CCCC2)nc1.
What is the InChIKey of 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RGJZEZWRFJMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(22)21-10-4-7-16(21)18(23)20-12-14-8-9-17(19-11-14)24-15-5-2-3-6-15/h8-9,11,15-16H,2-7,10,12H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 87005295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).