N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide

C18H25N3O3 — CID 110202800

IUPACN-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@@H](COCC2CC2)[C@H](c2ccncc2)C1
InChIInChI=1S/C18H25N3O3/c1-13(22)20-8-18(23)21-9-16(12-24-11-14-2-3-14)17(10-21)15-4-6-19-7-5-15/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyGXFCGEAUKLUNBV-IRXDYDNUSA-N
MW331.42 g/mol
LogP1.19
Rot. Bonds7

About N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110202800) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID110202800
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@@H](COCC2CC2)[C@H](c2ccncc2)C1
InChIInChI=1S/C18H25N3O3/c1-13(22)20-8-18(23)21-9-16(12-24-11-14-2-3-14)17(10-21)15-4-6-19-7-5-15/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyGXFCGEAUKLUNBV-IRXDYDNUSA-N
XLogP1.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 110202800) is N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1C[C@@H](COCC2CC2)[C@H](c2ccncc2)C1.
What is the InChIKey of N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is GXFCGEAUKLUNBV-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(22)20-8-18(23)21-9-16(12-24-11-14-2-3-14)17(10-21)15-4-6-19-7-5-15/h4-7,14,16-17H,2-3,8-12H2,1H3,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110202800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).