3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide

C15H17BrN4O — CID 75834144

IUPAC3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)c1nccnc1N
InChIInChI=1S/C15H17BrN4O/c1-10(2-3-11-4-6-12(16)7-5-11)20-15(21)13-14(17)19-9-8-18-13/h4-10H,2-3H2,1H3,(H2,17,19)(H,20,21)
InChIKeyWNRAJNADSGYMBX-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.57
Rot. Bonds5

About 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide

3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide (PubChem CID 75834144) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide
PubChem CID75834144
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)c1nccnc1N
InChIInChI=1S/C15H17BrN4O/c1-10(2-3-11-4-6-12(16)7-5-11)20-15(21)13-14(17)19-9-8-18-13/h4-10H,2-3H2,1H3,(H2,17,19)(H,20,21)
InChIKeyWNRAJNADSGYMBX-UHFFFAOYSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
CID 32652897
3-amino-N-(1-methoxypropan-2-yl)pyrazine-2-carboxamide
CID 42940326
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 52734946
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
3-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 60574444
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 47401062
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide (CID 75834144) is 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide is CC(CCc1ccc(Br)cc1)NC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide?
The InChIKey is WNRAJNADSGYMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10(2-3-11-4-6-12(16)7-5-11)20-15(21)13-14(17)19-9-8-18-13/h4-10H,2-3H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide?
3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 75834144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).