1-(3-aminopropyl)-3-pyridin-2-ylurea

C9H14N4O — CID 110492095

IUPAC1-(3-aminopropyl)-3-pyridin-2-ylurea
SMILESNCCCNC(=O)Nc1ccccn1
InChIInChI=1S/C9H14N4O/c10-5-3-7-12-9(14)13-8-4-1-2-6-11-8/h1-2,4,6H,3,5,7,10H2,(H2,11,12,13,14)
InChIKeySHXTXIZVRSIKDQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.55
Rot. Bonds4

About 1-(3-aminopropyl)-3-pyridin-2-ylurea

1-(3-aminopropyl)-3-pyridin-2-ylurea (PubChem CID 110492095) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-pyridin-2-ylurea
PubChem CID110492095
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(3-aminopropyl)-3-pyridin-2-ylurea
SMILESNCCCNC(=O)Nc1ccccn1
InChIInChI=1S/C9H14N4O/c10-5-3-7-12-9(14)13-8-4-1-2-6-11-8/h1-2,4,6H,3,5,7,10H2,(H2,11,12,13,14)
InChIKeySHXTXIZVRSIKDQ-UHFFFAOYSA-N
XLogP0.55
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.55
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-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
CID 145258364
CID 145258364
6-(pyridin-2-ylcarbamoylamino)hexyl cyanate
CID 139402160
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
1-(3-aminopropyl)-3-(2-bromophenyl)urea
CID 117235774
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
CID 108882467
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
CID 51084990
1-[(3R)-3-[(S)-methylsulfinyl]butyl]-3-pyridin-2-ylurea
CID 97351423

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(3-aminopropyl)-3-pyridin-2-ylurea (CID 110492095) is 1-(3-aminopropyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-pyridin-2-ylurea is NCCCNC(=O)Nc1ccccn1.
What is the InChIKey of 1-(3-aminopropyl)-3-pyridin-2-ylurea?
The InChIKey is SHXTXIZVRSIKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-5-3-7-12-9(14)13-8-4-1-2-6-11-8/h1-2,4,6H,3,5,7,10H2,(H2,11,12,13,14).
What are the key properties of 1-(3-aminopropyl)-3-pyridin-2-ylurea?
1-(3-aminopropyl)-3-pyridin-2-ylurea has a molecular weight of 194.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 110492095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).