4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid

C16H16N4O2 — CID 122064321

IUPAC4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid
SMILESN#Cc1cnc(NC(CCC(=O)O)Cc2ccccc2)cn1
InChIInChI=1S/C16H16N4O2/c17-9-14-10-19-15(11-18-14)20-13(6-7-16(21)22)8-12-4-2-1-3-5-12/h1-5,10-11,13H,6-8H2,(H,19,20)(H,21,22)
InChIKeyKNEFFVIBLRTNGL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.24
Rot. Bonds7

About 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid

4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid (PubChem CID 122064321) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid
PubChem CID122064321
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid
SMILESN#Cc1cnc(NC(CCC(=O)O)Cc2ccccc2)cn1
InChIInChI=1S/C16H16N4O2/c17-9-14-10-19-15(11-18-14)20-13(6-7-16(21)22)8-12-4-2-1-3-5-12/h1-5,10-11,13H,6-8H2,(H,19,20)(H,21,22)
InChIKeyKNEFFVIBLRTNGL-UHFFFAOYSA-N
XLogP2.24
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202
4-(5-acetyl-2-cyanoanilino)-5-phenylpentanoic acid
CID 122064188
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid
CID 122064301
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-5-phenylpentanoic acid
CID 122064162
4-[(4-amino-5-nitropyrimidin-2-yl)amino]-5-phenylpentanoic acid
CID 122064259

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid (CID 122064321) is 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid is N#Cc1cnc(NC(CCC(=O)O)Cc2ccccc2)cn1.
What is the InChIKey of 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid?
The InChIKey is KNEFFVIBLRTNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-9-14-10-19-15(11-18-14)20-13(6-7-16(21)22)8-12-4-2-1-3-5-12/h1-5,10-11,13H,6-8H2,(H,19,20)(H,21,22).
What are the key properties of 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid?
4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122064321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).