N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide

C24H30N6O2 — CID 11797101

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NC(C)(C)Cc2ccccc2)c1=O
InChIInChI=1S/C24H30N6O2/c1-16-13-27-22(29-24(3,4)12-18-8-6-5-7-9-18)23(32)30(16)15-21(31)26-14-19-10-11-20(25)28-17(19)2/h5-11,13H,12,14-15H2,1-4H3,(H2,25,28)(H,26,31)(H,27,29)
InChIKeyGFWVZRBBUJMRSI-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.59
Rot. Bonds8

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide (PubChem CID 11797101) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide
PubChem CID11797101
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NC(C)(C)Cc2ccccc2)c1=O
InChIInChI=1S/C24H30N6O2/c1-16-13-27-22(29-24(3,4)12-18-8-6-5-7-9-18)23(32)30(16)15-21(31)26-14-19-10-11-20(25)28-17(19)2/h5-11,13H,12,14-15H2,1-4H3,(H2,25,28)(H,26,31)(H,27,29)
InChIKeyGFWVZRBBUJMRSI-UHFFFAOYSA-N
XLogP2.59
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide (CID 11797101) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NC(C)(C)Cc2ccccc2)c1=O.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide?
The InChIKey is GFWVZRBBUJMRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-13-27-22(29-24(3,4)12-18-8-6-5-7-9-18)23(32)30(16)15-21(31)26-14-19-10-11-20(25)28-17(19)2/h5-11,13H,12,14-15H2,1-4H3,(H2,25,28)(H,26,31)(H,27,29).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 11797101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).