N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide

C18H15N3O2 — CID 110793747

IUPACN-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1cnccn1
InChIInChI=1S/C18H15N3O2/c22-18(17-13-19-10-11-20-17)21-12-14-6-8-16(9-7-14)23-15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,22)
InChIKeyNAHSXLWNAOJDMW-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.20
Rot. Bonds5

About N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide

N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 110793747) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID110793747
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1cnccn1
InChIInChI=1S/C18H15N3O2/c22-18(17-13-19-10-11-20-17)21-12-14-6-8-16(9-7-14)23-15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,22)
InChIKeyNAHSXLWNAOJDMW-UHFFFAOYSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335911
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide (CID 110793747) is N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(Oc2ccccc2)cc1)c1cnccn1.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is NAHSXLWNAOJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(17-13-19-10-11-20-17)21-12-14-6-8-16(9-7-14)23-15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,22).
What are the key properties of N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide?
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110793747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).