1-(6-butoxy-3-pyridinyl)-3-methylurea

C11H17N3O2 — CID 134123210

IUPAC1-(6-butoxy-3-pyridinyl)-3-methylurea
SMILESCCCCOc1ccc(NC(=O)NC)cn1
InChIInChI=1S/C11H17N3O2/c1-3-4-7-16-10-6-5-9(8-13-10)14-11(15)12-2/h5-6,8H,3-4,7H2,1-2H3,(H2,12,14,15)
InChIKeyNSMOFXQXZJTTGU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.01
Rot. Bonds5

About 1-(6-butoxy-3-pyridinyl)-3-methylurea

1-(6-butoxy-3-pyridinyl)-3-methylurea (PubChem CID 134123210) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(6-butoxy-3-pyridinyl)-3-methylurea.

Molecular Properties

Compound Name1-(6-butoxy-3-pyridinyl)-3-methylurea
PubChem CID134123210
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(6-butoxy-3-pyridinyl)-3-methylurea
SMILESCCCCOc1ccc(NC(=O)NC)cn1
InChIInChI=1S/C11H17N3O2/c1-3-4-7-16-10-6-5-9(8-13-10)14-11(15)12-2/h5-6,8H,3-4,7H2,1-2H3,(H2,12,14,15)
InChIKeyNSMOFXQXZJTTGU-UHFFFAOYSA-N
XLogP2.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-3-methylurea
CID 127511148
3-[(6-butoxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090495
2-[(6-butoxy-3-pyridinyl)amino]acetic acid
CID 3028450
benzyl N-(6-butoxy-3-pyridinyl)carbamate
CID 42691168
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 133205914
(2S)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 100778007
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
(2R)-2-methoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100774890
(2R)-2-ethoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100776755
(2R)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylhexanamide
CID 100774730

Frequently Asked Questions

What is the IUPAC name of 1-(6-butoxy-3-pyridinyl)-3-methylurea?
The IUPAC name of 1-(6-butoxy-3-pyridinyl)-3-methylurea (CID 134123210) is 1-(6-butoxy-3-pyridinyl)-3-methylurea.
What is the SMILES notation for 1-(6-butoxy-3-pyridinyl)-3-methylurea?
The canonical SMILES for 1-(6-butoxy-3-pyridinyl)-3-methylurea is CCCCOc1ccc(NC(=O)NC)cn1.
What is the InChIKey of 1-(6-butoxy-3-pyridinyl)-3-methylurea?
The InChIKey is NSMOFXQXZJTTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-7-16-10-6-5-9(8-13-10)14-11(15)12-2/h5-6,8H,3-4,7H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-(6-butoxy-3-pyridinyl)-3-methylurea?
1-(6-butoxy-3-pyridinyl)-3-methylurea has a molecular weight of 223.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butoxy-3-pyridinyl)-3-methylurea is sourced from PubChem (CID 134123210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).