3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide

C15H18N4O — CID 30138259

IUPAC3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1nccnc1N
InChIInChI=1S/C15H18N4O/c1-11(7-8-12-5-3-2-4-6-12)19-15(20)13-14(16)18-10-9-17-13/h2-6,9-11H,7-8H2,1H3,(H2,16,18)(H,19,20)/t11-/m1/s1
InChIKeyYESLPWZLHGLIAF-LLVKDONJSA-N
MW270.34 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide

3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide (PubChem CID 30138259) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
PubChem CID30138259
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1nccnc1N
InChIInChI=1S/C15H18N4O/c1-11(7-8-12-5-3-2-4-6-12)19-15(20)13-14(16)18-10-9-17-13/h2-6,9-11H,7-8H2,1H3,(H2,16,18)(H,19,20)/t11-/m1/s1
InChIKeyYESLPWZLHGLIAF-LLVKDONJSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide
CID 75834144
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
CID 32652897
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825
3-amino-N-(1-methoxypropan-2-yl)pyrazine-2-carboxamide
CID 42940326
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide (CID 30138259) is 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide?
The InChIKey is YESLPWZLHGLIAF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(7-8-12-5-3-2-4-6-12)19-15(20)13-14(16)18-10-9-17-13/h2-6,9-11H,7-8H2,1H3,(H2,16,18)(H,19,20)/t11-/m1/s1.
What are the key properties of 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide?
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 30138259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).