2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide

C19H22F2N4O3 — CID 86598115

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(C(C)O)cn1
InChIInChI=1S/C19H22F2N4O3/c1-3-4-15(19(28)25-17-10-22-16(9-23-17)11(2)26)24-18(27)7-12-5-13(20)8-14(21)6-12/h5-6,8-11,15,26H,3-4,7H2,1-2H3,(H,24,27)(H,23,25,28)
InChIKeyRTBJSJSVHMFHSC-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.27
Rot. Bonds8

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide (PubChem CID 86598115) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
PubChem CID86598115
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(C(C)O)cn1
InChIInChI=1S/C19H22F2N4O3/c1-3-4-15(19(28)25-17-10-22-16(9-23-17)11(2)26)24-18(27)7-12-5-13(20)8-14(21)6-12/h5-6,8-11,15,26H,3-4,7H2,1-2H3,(H,24,27)(H,23,25,28)
InChIKeyRTBJSJSVHMFHSC-UHFFFAOYSA-N
XLogP2.27
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide 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

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide
CID 11407422
N-[5-(butylaminomethyl)pyrazin-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 86598101
3-[4-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]imidazol-1-yl]butanoic acid
CID 142780612
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-oxopentan-2-yl)-2-pyridinyl]pentanamide
CID 11475949
3-[6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-3-pyridinyl]prop-2-enoic acid
CID 142997608
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-oxoprop-1-enyl)-2-pyridinyl]pentanamide
CID 90764008
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide
CID 86598098
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(2-hydroxypropyl)-1,3-oxazol-2-yl]pentanamide
CID 11211599
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]pentanamide
CID 70343842
2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoic acid;methyl 3-[6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-3-pyridinyl]butanoate
CID 69291762
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pentoxypyrimidin-2-yl)pentanamide
CID 91166034
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[3-[(4-methoxyphenyl)methylamino]butyl]-2-pyridinyl]pentanamide
CID 91524277

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide (CID 86598115) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(C(C)O)cn1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide?
The InChIKey is RTBJSJSVHMFHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-3-4-15(19(28)25-17-10-22-16(9-23-17)11(2)26)24-18(27)7-12-5-13(20)8-14(21)6-12/h5-6,8-11,15,26H,3-4,7H2,1-2H3,(H,24,27)(H,23,25,28).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide has a molecular weight of 392.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(1-hydroxyethyl)pyrazin-2-yl]pentanamide is sourced from PubChem (CID 86598115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).