(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C13H19N3O5 — CID 67690651

IUPAC(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCCOc1ccnc(OC(=O)NC(=O)CN)c1OC
InChIInChI=1S/C13H19N3O5/c1-3-4-7-20-9-5-6-15-12(11(9)19-2)21-13(18)16-10(17)8-14/h5-6H,3-4,7-8,14H2,1-2H3,(H,16,17,18)
InChIKeyUWZNPUSLRWJVAX-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.84
Rot. Bonds7

About (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 67690651) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID67690651
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCCOc1ccnc(OC(=O)NC(=O)CN)c1OC
InChIInChI=1S/C13H19N3O5/c1-3-4-7-20-9-5-6-15-12(11(9)19-2)21-13(18)16-10(17)8-14/h5-6H,3-4,7-8,14H2,1-2H3,(H,16,17,18)
InChIKeyUWZNPUSLRWJVAX-UHFFFAOYSA-N
XLogP0.84
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363708
(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363701
(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 67691049
4-butoxy-3-ethoxypyridine-2-carboxylic acid
CID 22923784
butyl 4-butoxy-2-chloropyridine-3-carboxylate
CID 122551404
3-butoxy-2-methoxybenzoic acid
CID 82161610
2-amino-4-butoxy-N-ethyl-3-methoxybenzamide
CID 162701414
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 105126859
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
methyl 3,4-dibutoxy-2-hydroxybenzoate
CID 122417744
butyl 1,3-oxazole-2-carboxylate
CID 165359188

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 67690651) is (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is CCCCOc1ccnc(OC(=O)NC(=O)CN)c1OC.
What is the InChIKey of (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is UWZNPUSLRWJVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-4-7-20-9-5-6-15-12(11(9)19-2)21-13(18)16-10(17)8-14/h5-6H,3-4,7-8,14H2,1-2H3,(H,16,17,18).
What are the key properties of (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 297.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 67690651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).