5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

C18H20N4O3 — CID 109276874

IUPAC5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)NCC3CCCO3)cn2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-14(7-5-13)22-17-11-19-16(10-20-17)18(24)21-9-15-3-2-8-25-15/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyPHEBTZNDDUNMTN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.33
Rot. Bonds6

About 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109276874) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109276874
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)NCC3CCCO3)cn2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-14(7-5-13)22-17-11-19-16(10-20-17)18(24)21-9-15-3-2-8-25-15/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyPHEBTZNDDUNMTN-UHFFFAOYSA-N
XLogP2.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300998
5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109273316
5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185048
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344009
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (CID 109276874) is 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is CC(=O)c1ccc(Nc2cnc(C(=O)NCC3CCCO3)cn2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is PHEBTZNDDUNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)13-4-6-14(7-5-13)22-17-11-19-16(10-20-17)18(24)21-9-15-3-2-8-25-15/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).