tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate

C18H25N7O4 — CID 11292589

IUPACtert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1C(=O)NCn1c(C)cnc(NN)c1=O
InChIInChI=1S/C18H25N7O4/c1-10-8-20-14(24-19)16(27)25(10)9-21-15(26)12-6-7-13(22-11(12)2)23-17(28)29-18(3,4)5/h6-8H,9,19H2,1-5H3,(H,20,24)(H,21,26)(H,22,23,28)
InChIKeyTYKXFWFAQRPUOR-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.28
Rot. Bonds5

About tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate

tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate (PubChem CID 11292589) has the molecular formula C18H25N7O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate
PubChem CID11292589
Molecular FormulaC18H25N7O4
Molecular Weight403.44 g/mol
Exact Mass403.20
IUPAC Nametert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1C(=O)NCn1c(C)cnc(NN)c1=O
InChIInChI=1S/C18H25N7O4/c1-10-8-20-14(24-19)16(27)25(10)9-21-15(26)12-6-7-13(22-11(12)2)23-17(28)29-18(3,4)5/h6-8H,9,19H2,1-5H3,(H,20,24)(H,21,26)(H,22,23,28)
InChIKeyTYKXFWFAQRPUOR-UHFFFAOYSA-N
XLogP1.28
TPSA153.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate (CID 11292589) is tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)ccc1C(=O)NCn1c(C)cnc(NN)c1=O.
What is the InChIKey of tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate?
The InChIKey is TYKXFWFAQRPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O4/c1-10-8-20-14(24-19)16(27)25(10)9-21-15(26)12-6-7-13(22-11(12)2)23-17(28)29-18(3,4)5/h6-8H,9,19H2,1-5H3,(H,20,24)(H,21,26)(H,22,23,28).
What are the key properties of tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate?
tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate has a molecular weight of 403.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 11292589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).