N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide

C29H31N5O3 — CID 157431100

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(-c2cccc(CO)c2)cnc(CCCc2ccccc2)c1=O
InChIInChI=1S/C29H31N5O3/c1-20-24(13-14-27(30)33-20)16-32-28(36)18-34-26(23-11-5-10-22(15-23)19-35)17-31-25(29(34)37)12-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,13-15,17,35H,6,9,12,16,18-19H2,1H3,(H2,30,33)(H,32,36)
InChIKeyBQNVCXFCFCMWFQ-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.18
Rot. Bonds10

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide (PubChem CID 157431100) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
PubChem CID157431100
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(-c2cccc(CO)c2)cnc(CCCc2ccccc2)c1=O
InChIInChI=1S/C29H31N5O3/c1-20-24(13-14-27(30)33-20)16-32-28(36)18-34-26(23-11-5-10-22(15-23)19-35)17-31-25(29(34)37)12-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,13-15,17,35H,6,9,12,16,18-19H2,1H3,(H2,30,33)(H,32,36)
InChIKeyBQNVCXFCFCMWFQ-UHFFFAOYSA-N
XLogP3.18
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(2-methylphenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 162125401
N-[[3-[6-oxo-1-[2-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)butyl]-5-(3-phenylpropyl)pyrazin-2-yl]phenyl]methyl]methanesulfonamide
CID 160778903
2-[6-(2-fluorophenyl)-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 161167618
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-[(2-phenyloxetan-3-yl)methyl]pyrazin-1-yl]acetamide
CID 159735902
2-[6-[1-(azetidin-3-yl)pyrazol-4-yl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 158927605
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide
CID 10004435
2-[3-(5-methoxypentyl)-2-oxo-6-phenylpyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 158848182
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-(3-cyclopropylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291383
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 10183998
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid;2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide;1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine
CID 159752401
3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione
CID 159029669
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 157270560

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide (CID 157431100) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(-c2cccc(CO)c2)cnc(CCCc2ccccc2)c1=O.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide?
The InChIKey is BQNVCXFCFCMWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-20-24(13-14-27(30)33-20)16-32-28(36)18-34-26(23-11-5-10-22(15-23)19-35)17-31-25(29(34)37)12-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,13-15,17,35H,6,9,12,16,18-19H2,1H3,(H2,30,33)(H,32,36).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide has a molecular weight of 497.60 g/mol, XLogP of 3.18, 10 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-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide is sourced from PubChem (CID 157431100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).