N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide

C25H26N4O2 — CID 66689818

IUPACN-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H]2CCCc3ccccc32)c1=O
InChIInChI=1S/C25H26N4O2/c1-16-9-10-18(24(30)27-19-11-12-19)15-22(16)29-14-13-26-23(25(29)31)28-21-8-4-6-17-5-2-3-7-20(17)21/h2-3,5,7,9-10,13-15,19,21H,4,6,8,11-12H2,1H3,(H,26,28)(H,27,30)/t21-/m1/s1
InChIKeyKKEDMLWTOJTAAN-OAQYLSRUSA-N
MW414.51 g/mol
LogP3.92
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide

N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide (PubChem CID 66689818) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide
PubChem CID66689818
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H]2CCCc3ccccc32)c1=O
InChIInChI=1S/C25H26N4O2/c1-16-9-10-18(24(30)27-19-11-12-19)15-22(16)29-14-13-26-23(25(29)31)28-21-8-4-6-17-5-2-3-7-20(17)21/h2-3,5,7,9-10,13-15,19,21H,4,6,8,11-12H2,1H3,(H,26,28)(H,27,30)/t21-/m1/s1
InChIKeyKKEDMLWTOJTAAN-OAQYLSRUSA-N
XLogP3.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide (CID 66689818) is N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H]2CCCc3ccccc32)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide?
The InChIKey is KKEDMLWTOJTAAN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-9-10-18(24(30)27-19-11-12-19)15-22(16)29-14-13-26-23(25(29)31)28-21-8-4-6-17-5-2-3-7-20(17)21/h2-3,5,7,9-10,13-15,19,21H,4,6,8,11-12H2,1H3,(H,26,28)(H,27,30)/t21-/m1/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[2-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrazin-1-yl]benzamide is sourced from PubChem (CID 66689818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).