N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide

C22H30N4O3 — CID 24831256

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1cnc(N2CCCC2)c(OCc2ccccc2)n1
InChIInChI=1S/C22H30N4O3/c1-16(2)12-18(14-27)24-21(28)19-13-23-20(26-10-6-7-11-26)22(25-19)29-15-17-8-4-3-5-9-17/h3-5,8-9,13,16,18,27H,6-7,10-12,14-15H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyRQLSPSIMPYILOK-SFHVURJKSA-N
MW398.51 g/mol
LogP2.79
Rot. Bonds9

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide (PubChem CID 24831256) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide
PubChem CID24831256
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1cnc(N2CCCC2)c(OCc2ccccc2)n1
InChIInChI=1S/C22H30N4O3/c1-16(2)12-18(14-27)24-21(28)19-13-23-20(26-10-6-7-11-26)22(25-19)29-15-17-8-4-3-5-9-17/h3-5,8-9,13,16,18,27H,6-7,10-12,14-15H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyRQLSPSIMPYILOK-SFHVURJKSA-N
XLogP2.79
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-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

(2S)-4-methyl-2-[[[6-(pyridin-2-ylmethoxy)-5-pyrrolidin-1-ylpyrazine-2-carbonyl]amino]methyl]pentanoic acid
CID 174689570
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
tert-butyl N-[[1-(5-bromo-3-phenylmethoxypyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
CID 139516378
N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 110886372
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71525851
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 142677368
N-(4-methylpentan-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076058
5-(3-fluoroazetidin-1-yl)-N-[3-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]pentan-3-yl]-6-[[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]methoxy]pyridine-2-carboxamide
CID 150332707
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide (CID 24831256) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1cnc(N2CCCC2)c(OCc2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
The InChIKey is RQLSPSIMPYILOK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)12-18(14-27)24-21(28)19-13-23-20(26-10-6-7-11-26)22(25-19)29-15-17-8-4-3-5-9-17/h3-5,8-9,13,16,18,27H,6-7,10-12,14-15H2,1-2H3,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 24831256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).