1-amino-1-(pyridin-3-ylmethyl)urea

C7H10N4O — CID 155026143

IUPAC1-amino-1-(pyridin-3-ylmethyl)urea
SMILESNC(=O)N(N)Cc1cccnc1
InChIInChI=1S/C7H10N4O/c8-7(12)11(9)5-6-2-1-3-10-4-6/h1-4H,5,9H2,(H2,8,12)
InChIKeyCTPUDCILWPEYET-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.16
Rot. Bonds2

About 1-amino-1-(pyridin-3-ylmethyl)urea

1-amino-1-(pyridin-3-ylmethyl)urea (PubChem CID 155026143) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-amino-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-amino-1-(pyridin-3-ylmethyl)urea
PubChem CID155026143
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-amino-1-(pyridin-3-ylmethyl)urea
SMILESNC(=O)N(N)Cc1cccnc1
InChIInChI=1S/C7H10N4O/c8-7(12)11(9)5-6-2-1-3-10-4-6/h1-4H,5,9H2,(H2,8,12)
InChIKeyCTPUDCILWPEYET-UHFFFAOYSA-N
XLogP-0.16
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
2-[bis(pyridin-3-ylmethyl)amino]-2-(4-bromophenyl)acetamide
CID 142791812
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
(Z)-2,3-dimethyl-4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 55167727
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea
CID 123313584
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-amino-1-(pyridin-3-ylmethyl)urea (CID 155026143) is 1-amino-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-amino-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-amino-1-(pyridin-3-ylmethyl)urea is NC(=O)N(N)Cc1cccnc1.
What is the InChIKey of 1-amino-1-(pyridin-3-ylmethyl)urea?
The InChIKey is CTPUDCILWPEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-7(12)11(9)5-6-2-1-3-10-4-6/h1-4H,5,9H2,(H2,8,12).
What are the key properties of 1-amino-1-(pyridin-3-ylmethyl)urea?
1-amino-1-(pyridin-3-ylmethyl)urea has a molecular weight of 166.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 155026143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).