1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C16H16F2N4O — CID 118740277

IUPAC1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N4O/c17-12-3-2-11(8-13(12)18)10-22-7-1-4-16(22,15(19)23)14-9-20-5-6-21-14/h2-3,5-6,8-9H,1,4,7,10H2,(H2,19,23)
InChIKeyYPFBAVJBBPVKHK-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.73
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 118740277) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID118740277
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N4O/c17-12-3-2-11(8-13(12)18)10-22-7-1-4-16(22,15(19)23)14-9-20-5-6-21-14/h2-3,5-6,8-9H,1,4,7,10H2,(H2,19,23)
InChIKeyYPFBAVJBBPVKHK-UHFFFAOYSA-N
XLogP1.73
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-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

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyrazin-2-ylmethyl)-1,4-diazepan-2-one
CID 44418114
2-[1-(2,3-difluorobenzyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-2-pyrazinyl)methyl]acetamide
CID 24791362
(R)-3-amino-1-((S)-2-((6-(trifluoromethyl)pyridin-3-ylamino)methyl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45267530
(2S)-N-[(2S)-1-[(2R)-2-(6-benzylpyrazin-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 145992698
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 121437796
3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
CID 146047496
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-(2-pyrazin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 165139513
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyrazin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 165140148
(4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-2-carboxamide
CID 169551223
Pyrazine-2-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 656182
2-[1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(2-pyrazinylmethyl)acetamide
CID 24817141
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-2-pyrazinyl)methyl]acetamide
CID 24793834

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 118740277) is 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is YPFBAVJBBPVKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-12-3-2-11(8-13(12)18)10-22-7-1-4-16(22,15(19)23)14-9-20-5-6-21-14/h2-3,5-6,8-9H,1,4,7,10H2,(H2,19,23).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118740277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).