N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide

C17H17F2N3O3 — CID 18169192

IUPACN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cnccn2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C17H17F2N3O3/c1-24-15-8-11(2-5-14(15)25-17(18)19)10-22(12-3-4-12)16(23)13-9-20-6-7-21-13/h2,5-9,12,17H,3-4,10H2,1H3
InChIKeyJHOKVTMTSJFHBI-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.89
Rot. Bonds7

About N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide (PubChem CID 18169192) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
PubChem CID18169192
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cnccn2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C17H17F2N3O3/c1-24-15-8-11(2-5-14(15)25-17(18)19)10-22(12-3-4-12)16(23)13-9-20-6-7-21-13/h2,5-9,12,17H,3-4,10H2,1H3
InChIKeyJHOKVTMTSJFHBI-UHFFFAOYSA-N
XLogP2.89
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide (CID 18169192) is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide is COc1cc(CN(C(=O)c2cnccn2)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is JHOKVTMTSJFHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-24-15-8-11(2-5-14(15)25-17(18)19)10-22(12-3-4-12)16(23)13-9-20-6-7-21-13/h2,5-9,12,17H,3-4,10H2,1H3.
What are the key properties of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 18169192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).