3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide

C12H20N4O — CID 32652897

IUPAC3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)CC[C@H](C)NC(=O)c1nccnc1N
InChIInChI=1S/C12H20N4O/c1-8(2)4-5-9(3)16-12(17)10-11(13)15-7-6-14-10/h6-9H,4-5H2,1-3H3,(H2,13,15)(H,16,17)/t9-/m0/s1
InChIKeyUDLCGKUEANOFMG-VIFPVBQESA-N
MW236.32 g/mol
LogP1.61
Rot. Bonds5

About 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide

3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide (PubChem CID 32652897) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
PubChem CID32652897
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)CC[C@H](C)NC(=O)c1nccnc1N
InChIInChI=1S/C12H20N4O/c1-8(2)4-5-9(3)16-12(17)10-11(13)15-7-6-14-10/h6-9H,4-5H2,1-3H3,(H2,13,15)(H,16,17)/t9-/m0/s1
InChIKeyUDLCGKUEANOFMG-VIFPVBQESA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methoxypropan-2-yl)pyrazine-2-carboxamide
CID 42940326
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide
CID 75834144
3-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 60574444
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
3-amino-N'-(3-methylbutanoyl)pyrazine-2-carbohydrazide
CID 30174136
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 47401062
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 30480999
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide (CID 32652897) is 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide is CC(C)CC[C@H](C)NC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide?
The InChIKey is UDLCGKUEANOFMG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)4-5-9(3)16-12(17)10-11(13)15-7-6-14-10/h6-9H,4-5H2,1-3H3,(H2,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide?
3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 32652897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).