1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea

C11H18N4O — CID 165487363

IUPAC1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
SMILESCCCCNC(=O)Nc1cccc(CN)n1
InChIInChI=1S/C11H18N4O/c1-2-3-7-13-11(16)15-10-6-4-5-9(8-12)14-10/h4-6H,2-3,7-8,12H2,1H3,(H2,13,14,15,16)
InChIKeyJZZFMDFPIGFHHI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds5

About 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea

1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea (PubChem CID 165487363) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
PubChem CID165487363
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
SMILESCCCCNC(=O)Nc1cccc(CN)n1
InChIInChI=1S/C11H18N4O/c1-2-3-7-13-11(16)15-10-6-4-5-9(8-12)14-10/h4-6H,2-3,7-8,12H2,1H3,(H2,13,14,15,16)
InChIKeyJZZFMDFPIGFHHI-UHFFFAOYSA-N
XLogP1.46
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(aminomethyl)-2-pyridinyl]-3-(2-methylpropyl)urea
CID 165487408
1-[5-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 62354751
2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide
CID 83618831
N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
CID 82343819
N-[6-(aminomethyl)-2-pyridinyl]-2-(dimethylamino)acetamide
CID 165487357
N-[6-(hydroxymethyl)-2-pyridinyl]pentanamide
CID 82343736
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379
ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate
CID 11740067
N-[6-(aminomethyl)-2-pyridinyl]-2-methylbenzamide
CID 82343825
N-(6-ethyl-2-pyridinyl)butanamide
CID 66596264
1-(4-aminophenyl)-3-butylurea
CID 28785616
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea?
The IUPAC name of 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea (CID 165487363) is 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea.
What is the SMILES notation for 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea?
The canonical SMILES for 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea is CCCCNC(=O)Nc1cccc(CN)n1.
What is the InChIKey of 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea?
The InChIKey is JZZFMDFPIGFHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-7-13-11(16)15-10-6-4-5-9(8-12)14-10/h4-6H,2-3,7-8,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea?
1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea has a molecular weight of 222.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea is sourced from PubChem (CID 165487363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).