N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide

C23H24N6O2 — CID 70023566

IUPACN-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2c(-n3c(C)cnc(NCCc4ccccc4)c3=O)c[nH]c2cn1
InChIInChI=1S/C23H24N6O2/c1-15-11-28-22(24-9-8-17-6-4-3-5-7-17)23(31)29(15)21-14-27-20-13-26-18(10-19(20)21)12-25-16(2)30/h3-7,10-11,13-14,27H,8-9,12H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyCEKRNCIZHQHWHH-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.71
Rot. Bonds7

About N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide

N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide (PubChem CID 70023566) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide
PubChem CID70023566
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2c(-n3c(C)cnc(NCCc4ccccc4)c3=O)c[nH]c2cn1
InChIInChI=1S/C23H24N6O2/c1-15-11-28-22(24-9-8-17-6-4-3-5-7-17)23(31)29(15)21-14-27-20-13-26-18(10-19(20)21)12-25-16(2)30/h3-7,10-11,13-14,27H,8-9,12H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyCEKRNCIZHQHWHH-UHFFFAOYSA-N
XLogP2.71
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797
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
2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide
CID 139894101
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 59900530
N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 86291054
N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
CID 54474463
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 157270560
3-(3-phenylpropyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 123557711

Frequently Asked Questions

What is the IUPAC name of N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide (CID 70023566) is N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide is CC(=O)NCc1cc2c(-n3c(C)cnc(NCCc4ccccc4)c3=O)c[nH]c2cn1.
What is the InChIKey of N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide?
The InChIKey is CEKRNCIZHQHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-11-28-22(24-9-8-17-6-4-3-5-7-17)23(31)29(15)21-14-27-20-13-26-18(10-19(20)21)12-25-16(2)30/h3-7,10-11,13-14,27H,8-9,12H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide?
N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 70023566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).