cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide

C16H16BrN3O2 — CID 125471412

IUPACcis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)[C@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C16H16BrN3O2/c17-14-7-19-15(8-18-14)20-16(21)13-6-12(13)10-22-9-11-4-2-1-3-5-11/h1-5,7-8,12-13H,6,9-10H2,(H,19,20,21)/t12-,13+/m1/s1
InChIKeyRABHSQBNWFWMNN-OLZOCXBDSA-N
MW362.23 g/mol
LogP3.03
Rot. Bonds6

About cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide

cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide (PubChem CID 125471412) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide
PubChem CID125471412
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Namecis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)[C@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C16H16BrN3O2/c17-14-7-19-15(8-18-14)20-16(21)13-6-12(13)10-22-9-11-4-2-1-3-5-11/h1-5,7-8,12-13H,6,9-10H2,(H,19,20,21)/t12-,13+/m1/s1
InChIKeyRABHSQBNWFWMNN-OLZOCXBDSA-N
XLogP3.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
1-benzyl-3-(5-bromopyrazin-2-yl)urea
CID 107653654
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475756
N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide
CID 79026184
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
N-(6-bromo-4-methyl-3-pyridinyl)cyclohexanecarboxamide;ethane;methoxymethylbenzene
CID 164567064
trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
CID 899834
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide (CID 125471412) is cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide is O=C(Nc1cnc(Br)cn1)[C@H]1C[C@@H]1COCc1ccccc1.
What is the InChIKey of cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is RABHSQBNWFWMNN-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-14-7-19-15(8-18-14)20-16(21)13-6-12(13)10-22-9-11-4-2-1-3-5-11/h1-5,7-8,12-13H,6,9-10H2,(H,19,20,21)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide?
cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 362.23 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 125471412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).