N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C14H14BrN3O2 — CID 40881028

IUPACN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cnccn2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-9(10-3-4-13(20-2)11(15)7-10)18-14(19)12-8-16-5-6-17-12/h3-9H,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyIWCMHEKBQCJSDC-SECBINFHSA-N
MW336.19 g/mol
LogP2.74
Rot. Bonds4

About N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 40881028) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID40881028
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cnccn2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-9(10-3-4-13(20-2)11(15)7-10)18-14(19)12-8-16-5-6-17-12/h3-9H,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyIWCMHEKBQCJSDC-SECBINFHSA-N
XLogP2.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 8962937
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614
N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46433680
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 47119098
N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 42997249
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-iodobenzamide
CID 60674615

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 40881028) is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cnccn2)cc1Br.
What is the InChIKey of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is IWCMHEKBQCJSDC-SECBINFHSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9(10-3-4-13(20-2)11(15)7-10)18-14(19)12-8-16-5-6-17-12/h3-9H,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 40881028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).