1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea

C10H15N5O — CID 70506884

IUPAC1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea
SMILESCCC/N=C(\N)NC(=O)Nc1ccccn1
InChIInChI=1S/C10H15N5O/c1-2-6-13-9(11)15-10(16)14-8-5-3-4-7-12-8/h3-5,7H,2,6H2,1H3,(H4,11,12,13,14,15,16)
InChIKeyFLVJBMGZBRIBJV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.93
Rot. Bonds3

About 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea

1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea (PubChem CID 70506884) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea
PubChem CID70506884
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea
SMILESCCC/N=C(\N)NC(=O)Nc1ccccn1
InChIInChI=1S/C10H15N5O/c1-2-6-13-9(11)15-10(16)14-8-5-3-4-7-12-8/h3-5,7H,2,6H2,1H3,(H4,11,12,13,14,15,16)
InChIKeyFLVJBMGZBRIBJV-UHFFFAOYSA-N
XLogP0.93
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-propyl-N-pyridin-2-ylethanimidamide
CID 130007747
1-carbamoyl-3-pyridin-2-ylurea
CID 564989
3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 119119560
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
CID 110491785
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119227
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954

Frequently Asked Questions

What is the IUPAC name of 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea (CID 70506884) is 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea is CCC/N=C(\N)NC(=O)Nc1ccccn1.
What is the InChIKey of 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea?
The InChIKey is FLVJBMGZBRIBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-6-13-9(11)15-10(16)14-8-5-3-4-7-12-8/h3-5,7H,2,6H2,1H3,(H4,11,12,13,14,15,16).
What are the key properties of 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea?
1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea has a molecular weight of 221.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 70506884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).