[2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid

C16H25N3O4 — CID 175990670

IUPAC[2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid
SMILESCOCCCc1cnc(NC(C)=O)cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-11(20)18-14-9-13(19(15(21)22)16(2,3)4)12(10-17-14)7-6-8-23-5/h9-10H,6-8H2,1-5H3,(H,21,22)(H,17,18,20)
InChIKeyGGAZHRJRHHQUAK-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.90
Rot. Bonds6

About [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid

[2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid (PubChem CID 175990670) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid
PubChem CID175990670
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name[2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid
SMILESCOCCCc1cnc(NC(C)=O)cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-11(20)18-14-9-13(19(15(21)22)16(2,3)4)12(10-17-14)7-6-8-23-5/h9-10H,6-8H2,1-5H3,(H,21,22)(H,17,18,20)
InChIKeyGGAZHRJRHHQUAK-UHFFFAOYSA-N
XLogP2.90
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid?
The IUPAC name of [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid (CID 175990670) is [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid.
What is the SMILES notation for [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid?
The canonical SMILES for [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid is COCCCc1cnc(NC(C)=O)cc1N(C(=O)O)C(C)(C)C.
What is the InChIKey of [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid?
The InChIKey is GGAZHRJRHHQUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11(20)18-14-9-13(19(15(21)22)16(2,3)4)12(10-17-14)7-6-8-23-5/h9-10H,6-8H2,1-5H3,(H,21,22)(H,17,18,20).
What are the key properties of [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid?
[2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid has a molecular weight of 323.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(3-methoxypropyl)-4-pyridinyl]-tert-butylcarbamic acid is sourced from PubChem (CID 175990670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).