3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C14H21N3O3 — CID 156608806

IUPAC3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)OC1CN(C(=O)NCc2cccnc2)CC1O
InChIInChI=1S/C14H21N3O3/c1-10(2)20-13-9-17(8-12(13)18)14(19)16-7-11-4-3-5-15-6-11/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyUBNYVAWQRUYNMY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.76
Rot. Bonds4

About 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 156608806) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID156608806
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)OC1CN(C(=O)NCc2cccnc2)CC1O
InChIInChI=1S/C14H21N3O3/c1-10(2)20-13-9-17(8-12(13)18)14(19)16-7-11-4-3-5-15-6-11/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyUBNYVAWQRUYNMY-UHFFFAOYSA-N
XLogP0.76
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 98255743
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
methyl (3S,4R)-4-(4-hydroxyphenyl)-1-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylate
CID 166245865
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
1-[(E)-3-methylbut-1-enyl]-3-(pyridin-3-ylmethyl)urea
CID 108910928
(1R,4R)-5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 166294994
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 156608806) is 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is CC(C)OC1CN(C(=O)NCc2cccnc2)CC1O.
What is the InChIKey of 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is UBNYVAWQRUYNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)20-13-9-17(8-12(13)18)14(19)16-7-11-4-3-5-15-6-11/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,16,19).
What are the key properties of 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 156608806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).