[2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C21H19FN4O — CID 56663554

IUPAC[2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1
InChIInChI=1S/C21H19FN4O/c1-14-10-18(15-4-2-5-16(22)11-15)25-12-17(14)20-6-3-9-26(20)21(27)19-13-23-7-8-24-19/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3
InChIKeyMPHZGUFVXAWBHR-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.96
Rot. Bonds3

About [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56663554) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID56663554
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name[2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1
InChIInChI=1S/C21H19FN4O/c1-14-10-18(15-4-2-5-16(22)11-15)25-12-17(14)20-6-3-9-26(20)21(27)19-13-23-7-8-24-19/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3
InChIKeyMPHZGUFVXAWBHR-UHFFFAOYSA-N
XLogP3.96
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidinyl)-5,6-diphenyl-2-pyrazinecarboxamide
CID 9906800
N-(piperidin-1-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 10126513
N-phenyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 10215860
5,6-Diaryl-pyrazine-2-amide derivative, 6b
CID 10309464
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
CID 68187375
N-isopropyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440708
N-isopentyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440709
N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
CID 72696912
N,5,6-triphenylpyrazine-2-carboxamide
CID 10236980
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-phenyl-1-(pyrazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 44433793
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-1-(2-methylpyrazine-5-carbonyl)-4-phenylpyrrolidine-3-carboxamide
CID 44433796
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methylpyrazine-5-carbonyl)pyrrolidine-3-carboxamide
CID 44433799

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 56663554) is [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1.
What is the InChIKey of [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is MPHZGUFVXAWBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-10-18(15-4-2-5-16(22)11-15)25-12-17(14)20-6-3-9-26(20)21(27)19-13-23-7-8-24-19/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3.
What are the key properties of [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 362.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56663554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).