N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide

C30H35N7O2 — CID 10186541

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NN(CCc2ccccc2)CCc2ccccc2)c1=O
InChIInChI=1S/C30H35N7O2/c1-22-19-33-29(30(39)37(22)21-28(38)32-20-26-13-14-27(31)34-23(26)2)35-36(17-15-24-9-5-3-6-10-24)18-16-25-11-7-4-8-12-25/h3-14,19H,15-18,20-21H2,1-2H3,(H2,31,34)(H,32,38)(H,33,35)
InChIKeyFFJIYNNCNLGXKR-UHFFFAOYSA-N
MW525.66 g/mol
LogP3.27
Rot. Bonds12

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide (PubChem CID 10186541) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
PubChem CID10186541
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NN(CCc2ccccc2)CCc2ccccc2)c1=O
InChIInChI=1S/C30H35N7O2/c1-22-19-33-29(30(39)37(22)21-28(38)32-20-26-13-14-27(31)34-23(26)2)35-36(17-15-24-9-5-3-6-10-24)18-16-25-11-7-4-8-12-25/h3-14,19H,15-18,20-21H2,1-2H3,(H2,31,34)(H,32,38)(H,33,35)
InChIKeyFFJIYNNCNLGXKR-UHFFFAOYSA-N
XLogP3.27
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide (CID 10186541) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide is Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NN(CCc2ccccc2)CCc2ccccc2)c1=O.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The InChIKey is FFJIYNNCNLGXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-22-19-33-29(30(39)37(22)21-28(38)32-20-26-13-14-27(31)34-23(26)2)35-36(17-15-24-9-5-3-6-10-24)18-16-25-11-7-4-8-12-25/h3-14,19H,15-18,20-21H2,1-2H3,(H2,31,34)(H,32,38)(H,33,35).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide has a molecular weight of 525.66 g/mol, XLogP of 3.27, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2,2-bis(2-phenylethyl)hydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 10186541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).