N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide

C29H31N5O3 — CID 161122597

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(-c2ccc(CO)cc2)cnc(CCCc2ccccc2)c1=O
InChIInChI=1S/C29H31N5O3/c1-20-24(14-15-27(30)33-20)16-32-28(36)18-34-26(23-12-10-22(19-35)11-13-23)17-31-25(29(34)37)9-5-8-21-6-3-2-4-7-21/h2-4,6-7,10-15,17,35H,5,8-9,16,18-19H2,1H3,(H2,30,33)(H,32,36)
InChIKeyULDJSDOFHOQJCX-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.18
Rot. Bonds10

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide (PubChem CID 161122597) 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-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
PubChem CID161122597
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(-c2ccc(CO)cc2)cnc(CCCc2ccccc2)c1=O
InChIInChI=1S/C29H31N5O3/c1-20-24(14-15-27(30)33-20)16-32-28(36)18-34-26(23-12-10-22(19-35)11-13-23)17-31-25(29(34)37)9-5-8-21-6-3-2-4-7-21/h2-4,6-7,10-15,17,35H,5,8-9,16,18-19H2,1H3,(H2,30,33)(H,32,36)
InChIKeyULDJSDOFHOQJCX-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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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(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-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide (CID 161122597) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(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-[4-(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-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(-c2ccc(CO)cc2)cnc(CCCc2ccccc2)c1=O.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide?
The InChIKey is ULDJSDOFHOQJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-20-24(14-15-27(30)33-20)16-32-28(36)18-34-26(23-12-10-22(19-35)11-13-23)17-31-25(29(34)37)9-5-8-21-6-3-2-4-7-21/h2-4,6-7,10-15,17,35H,5,8-9,16,18-19H2,1H3,(H2,30,33)(H,32,36).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[4-(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-[4-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide is sourced from PubChem (CID 161122597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).