4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine

C17H21F2N5O3 — CID 144851547

IUPAC4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine
SMILESCNc1cnccn1.COc1cc(F)c(C2CNC(=O)C2)c(F)c1.NC=O
InChIInChI=1S/C11H11F2NO2.C5H7N3.CH3NO/c1-16-7-3-8(12)11(9(13)4-7)6-2-10(15)14-5-6;1-6-5-4-7-2-3-8-5;2-1-3/h3-4,6H,2,5H2,1H3,(H,14,15);2-4H,1H3,(H,6,8);1H,(H2,2,3)
InChIKeyPHGIGZLCKWONNC-UHFFFAOYSA-N
MW381.38 g/mol
LogP1.20
Rot. Bonds3

About 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine

4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine (PubChem CID 144851547) has the molecular formula C17H21F2N5O3 and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine
PubChem CID144851547
Molecular FormulaC17H21F2N5O3
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC Name4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine
SMILESCNc1cnccn1.COc1cc(F)c(C2CNC(=O)C2)c(F)c1.NC=O
InChIInChI=1S/C11H11F2NO2.C5H7N3.CH3NO/c1-16-7-3-8(12)11(9(13)4-7)6-2-10(15)14-5-6;1-6-5-4-7-2-3-8-5;2-1-3/h3-4,6H,2,5H2,1H3,(H,14,15);2-4H,1H3,(H,6,8);1H,(H2,2,3)
InChIKeyPHGIGZLCKWONNC-UHFFFAOYSA-N
XLogP1.20
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-(6-chloro-2-pyridinyl)cyclopropyl]urea;4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 142493777
(4R)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;1-methyl-3-[1-(6-methyl-1,3-benzoxazol-2-yl)cyclopropyl]urea
CID 160899447
(4R)-4-(6-amino-5-methyl-3-pyridinyl)pyrrolidin-2-one
CID 124634670
4-[2-amino-5-[(3R)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluorobenzoic acid
CID 125468804
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45216091
4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 130580485
3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole
CID 134531950
(4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one
CID 174539021
[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
CID 134347497
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
ethyl (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 142493746
4-[4-methoxy-2-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 141070353

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine?
The IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine (CID 144851547) is 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine.
What is the SMILES notation for 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine?
The canonical SMILES for 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine is CNc1cnccn1.COc1cc(F)c(C2CNC(=O)C2)c(F)c1.NC=O.
What is the InChIKey of 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine?
The InChIKey is PHGIGZLCKWONNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2.C5H7N3.CH3NO/c1-16-7-3-8(12)11(9(13)4-7)6-2-10(15)14-5-6;1-6-5-4-7-2-3-8-5;2-1-3/h3-4,6H,2,5H2,1H3,(H,14,15);2-4H,1H3,(H,6,8);1H,(H2,2,3).
What are the key properties of 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine?
4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine has a molecular weight of 381.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one;formamide;N-methylpyrazin-2-amine is sourced from PubChem (CID 144851547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).