butyl N-(pyridine-3-carboximidoyl)carbamate

C11H15N3O2 — CID 173285765

IUPACbutyl N-(pyridine-3-carboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCCCC)c1cccnc1
InChIInChI=1S/C11H15N3O2/c1-2-3-7-16-11(15)14-10(12)9-5-4-6-13-8-9/h4-6,8H,2-3,7H2,1H3,(H2,12,14,15)
InChIKeySWQXZFLFXGUCKE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.93
Rot. Bonds4

About butyl N-(pyridine-3-carboximidoyl)carbamate

butyl N-(pyridine-3-carboximidoyl)carbamate (PubChem CID 173285765) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is butyl N-(pyridine-3-carboximidoyl)carbamate.

Molecular Properties

Compound Namebutyl N-(pyridine-3-carboximidoyl)carbamate
PubChem CID173285765
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namebutyl N-(pyridine-3-carboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCCCC)c1cccnc1
InChIInChI=1S/C11H15N3O2/c1-2-3-7-16-11(15)14-10(12)9-5-4-6-13-8-9/h4-6,8H,2-3,7H2,1H3,(H2,12,14,15)
InChIKeySWQXZFLFXGUCKE-UHFFFAOYSA-N
XLogP1.93
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

butyl 2-imino-2-pyridin-3-ylacetate
CID 139939287
2-methoxyethyl N-(benzenecarboximidoyl)carbamate
CID 173285751
heptyl pyridine-3-carboxylate
CID 531638
ethyl N-(benzenecarboximidoyl)carbamate
CID 137321100
propyl pyridine-3-carboximidate
CID 11819373
dioctadecyl 2-(dipyridin-3-ylmethylidene)propanedioate
CID 102008253
1-pyridin-3-ylpentan-1-imine
CID 19790330
hexyl N-[5-(aminomethyl)thiophene-3-carboximidoyl]carbamate
CID 172689535
1-pyridin-3-ylpentan-1-one
CID 12648543
N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
CID 140801880
[(E)-hexadec-9-enyl] pyridine-3-carboxylate
CID 91712082
butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate
CID 142668388

Frequently Asked Questions

What is the IUPAC name of butyl N-(pyridine-3-carboximidoyl)carbamate?
The IUPAC name of butyl N-(pyridine-3-carboximidoyl)carbamate (CID 173285765) is butyl N-(pyridine-3-carboximidoyl)carbamate.
What is the SMILES notation for butyl N-(pyridine-3-carboximidoyl)carbamate?
The canonical SMILES for butyl N-(pyridine-3-carboximidoyl)carbamate is [H]/N=C(\NC(=O)OCCCC)c1cccnc1.
What is the InChIKey of butyl N-(pyridine-3-carboximidoyl)carbamate?
The InChIKey is SWQXZFLFXGUCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-3-7-16-11(15)14-10(12)9-5-4-6-13-8-9/h4-6,8H,2-3,7H2,1H3,(H2,12,14,15).
What are the key properties of butyl N-(pyridine-3-carboximidoyl)carbamate?
butyl N-(pyridine-3-carboximidoyl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(pyridine-3-carboximidoyl)carbamate is sourced from PubChem (CID 173285765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).