methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate

C16H24N4O3 — CID 11056310

IUPACmethyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate
SMILESCCCCCCCc1c(NC(=O)OC)nc(OC)c(C#N)c1N
InChIInChI=1S/C16H24N4O3/c1-4-5-6-7-8-9-11-13(18)12(10-17)15(22-2)19-14(11)20-16(21)23-3/h4-9H2,1-3H3,(H3,18,19,20,21)
InChIKeyFIUKMPKGSPDGOW-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.24
Rot. Bonds8

About methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate

methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate (PubChem CID 11056310) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate
PubChem CID11056310
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namemethyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate
SMILESCCCCCCCc1c(NC(=O)OC)nc(OC)c(C#N)c1N
InChIInChI=1S/C16H24N4O3/c1-4-5-6-7-8-9-11-13(18)12(10-17)15(22-2)19-14(11)20-16(21)23-3/h4-9H2,1-3H3,(H3,18,19,20,21)
InChIKeyFIUKMPKGSPDGOW-UHFFFAOYSA-N
XLogP3.24
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate (CID 11056310) is methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate is CCCCCCCc1c(NC(=O)OC)nc(OC)c(C#N)c1N.
What is the InChIKey of methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate?
The InChIKey is FIUKMPKGSPDGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-5-6-7-8-9-11-13(18)12(10-17)15(22-2)19-14(11)20-16(21)23-3/h4-9H2,1-3H3,(H3,18,19,20,21).
What are the key properties of methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate?
methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate has a molecular weight of 320.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate is sourced from PubChem (CID 11056310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).