3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide

C22H28N4O2 — CID 66688607

IUPAC3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCC2CCCCC2)c1=O
InChIInChI=1S/C22H28N4O2/c1-15-7-8-17(21(27)25-18-9-10-18)13-19(15)26-12-11-23-20(22(26)28)24-14-16-5-3-2-4-6-16/h7-8,11-13,16,18H,2-6,9-10,14H2,1H3,(H,23,24)(H,25,27)
InChIKeyWRVDIQDHHKXEKY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.43
Rot. Bonds6

About 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 66688607) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID66688607
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCC2CCCCC2)c1=O
InChIInChI=1S/C22H28N4O2/c1-15-7-8-17(21(27)25-18-9-10-18)13-19(15)26-12-11-23-20(22(26)28)24-14-16-5-3-2-4-6-16/h7-8,11-13,16,18H,2-6,9-10,14H2,1H3,(H,23,24)(H,25,27)
InChIKeyWRVDIQDHHKXEKY-UHFFFAOYSA-N
XLogP3.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 66688607) is 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NCC2CCCCC2)c1=O.
What is the InChIKey of 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is WRVDIQDHHKXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-7-8-17(21(27)25-18-9-10-18)13-19(15)26-12-11-23-20(22(26)28)24-14-16-5-3-2-4-6-16/h7-8,11-13,16,18H,2-6,9-10,14H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethylamino)-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 66688607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).