N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide

C24H30N6O2 — CID 54384731

IUPACN-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NC(C)(C)Cc3ccccc3)c2=O)c(N)nc1C
InChIInChI=1S/C24H30N6O2/c1-15-13-27-22(29-24(4,5)12-18-9-7-6-8-10-18)23(32)30(15)20-11-19(14-26-17(3)31)16(2)28-21(20)25/h6-11,13H,12,14H2,1-5H3,(H2,25,28)(H,26,31)(H,27,29)
InChIKeyVCKMVIGRBPSRQX-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.90
Rot. Bonds7

About N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide

N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 54384731) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
PubChem CID54384731
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NC(C)(C)Cc3ccccc3)c2=O)c(N)nc1C
InChIInChI=1S/C24H30N6O2/c1-15-13-27-22(29-24(4,5)12-18-9-7-6-8-10-18)23(32)30(15)20-11-19(14-26-17(3)31)16(2)28-21(20)25/h6-11,13H,12,14H2,1-5H3,(H2,25,28)(H,26,31)(H,27,29)
InChIKeyVCKMVIGRBPSRQX-UHFFFAOYSA-N
XLogP2.90
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
CID 54474463
N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide
CID 70023566
N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide
CID 57165481
2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide
CID 139894101
2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
CID 58869621
benzyl 2-[5-chloro-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetate
CID 10693692
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 10183998
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291414
N-benzylacetamide;toluene
CID 175498463
N-benzylacetamide;ethanamine
CID 22257034
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003

Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide (CID 54384731) is N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(-n2c(C)cnc(NC(C)(C)Cc3ccccc3)c2=O)c(N)nc1C.
What is the InChIKey of N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is VCKMVIGRBPSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15-13-27-22(29-24(4,5)12-18-9-7-6-8-10-18)23(32)30(15)20-11-19(14-26-17(3)31)16(2)28-21(20)25/h6-11,13H,12,14H2,1-5H3,(H2,25,28)(H,26,31)(H,27,29).
What are the key properties of N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.90, 7 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-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 54384731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).