(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide

C18H26N4O2 — CID 98349135

IUPAC(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCC(C)COc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cn1
InChIInChI=1S/C18H26N4O2/c1-14(2)13-24-17-6-5-15(11-19-17)20-18(23)22-10-7-16(12-22)21-8-3-4-9-21/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyCETJYRWIYLJYFX-INIZCTEOSA-N
MW330.43 g/mol
LogP2.59
Rot. Bonds5

About (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide

(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 98349135) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID98349135
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCC(C)COc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cn1
InChIInChI=1S/C18H26N4O2/c1-14(2)13-24-17-6-5-15(11-19-17)20-18(23)22-10-7-16(12-22)21-8-3-4-9-21/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyCETJYRWIYLJYFX-INIZCTEOSA-N
XLogP2.59
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
2-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 110014658
N-(4-butan-2-yloxyphenyl)-4-(2,5-dihydropyrrol-1-yl)piperidine-1-carboxamide
CID 102562155
2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683489
N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870359
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 98345366
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[3-(methylsulfanylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 98349166
4-ethoxy-N-[6-(2-phenylethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 126792921
1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide
CID 167915084
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(4-methoxy-2-pyridinyl)pyrrolidine-1-carboxamide
CID 167988896
(3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98349201

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide (CID 98349135) is (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide is CC(C)COc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cn1.
What is the InChIKey of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is CETJYRWIYLJYFX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)13-24-17-6-5-15(11-19-17)20-18(23)22-10-7-16(12-22)21-8-3-4-9-21/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 98349135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).