N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide

C18H19F2N3O3 — CID 18090535

IUPACN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cnc(C)cn2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H19F2N3O3/c1-11-8-22-14(9-21-11)17(24)23(13-4-5-13)10-12-3-6-15(26-18(19)20)16(7-12)25-2/h3,6-9,13,18H,4-5,10H2,1-2H3
InChIKeyCGJSLJOJVHEFBL-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.20
Rot. Bonds7

About N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 18090535) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID18090535
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2cnc(C)cn2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C18H19F2N3O3/c1-11-8-22-14(9-21-11)17(24)23(13-4-5-13)10-12-3-6-15(26-18(19)20)16(7-12)25-2/h3,6-9,13,18H,4-5,10H2,1-2H3
InChIKeyCGJSLJOJVHEFBL-UHFFFAOYSA-N
XLogP3.20
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.20
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]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide (CID 18090535) is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide is COc1cc(CN(C(=O)c2cnc(C)cn2)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is CGJSLJOJVHEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-11-8-22-14(9-21-11)17(24)23(13-4-5-13)10-12-3-6-15(26-18(19)20)16(7-12)25-2/h3,6-9,13,18H,4-5,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide?
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 3.20, 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]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 18090535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).