2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide

C15H14FN5O — CID 56826029

IUPAC2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESN#Cc1nccnc1NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H14FN5O/c16-12-3-1-10(2-4-12)7-11(14(18)22)9-21-15-13(8-17)19-5-6-20-15/h1-6,11H,7,9H2,(H2,18,22)(H,20,21)
InChIKeyYAHJKMRIKALNJI-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.24
Rot. Bonds6

About 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide

2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 56826029) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID56826029
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESN#Cc1nccnc1NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H14FN5O/c16-12-3-1-10(2-4-12)7-11(14(18)22)9-21-15-13(8-17)19-5-6-20-15/h1-6,11H,7,9H2,(H2,18,22)(H,20,21)
InChIKeyYAHJKMRIKALNJI-UHFFFAOYSA-N
XLogP1.24
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453986
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 97120503
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
CID 95321688
(2S)-2-[(4-fluorophenyl)methyl]-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 95317473
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453961
(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
(2R)-2-[(4-fluorophenyl)methyl]-3-[(3-methyl-5-nitroimidazol-4-yl)amino]propanamide
CID 95333169
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
methyl 2-[[(3-cyano-2-pyridinyl)amino]methyl]-3-(4-hydroxyphenyl)propanoate
CID 133314409
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide (CID 56826029) is 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide is N#Cc1nccnc1NCC(Cc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is YAHJKMRIKALNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-12-3-1-10(2-4-12)7-11(14(18)22)9-21-15-13(8-17)19-5-6-20-15/h1-6,11H,7,9H2,(H2,18,22)(H,20,21).
What are the key properties of 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 299.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 56826029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).