2-[(4-cyano-3-pyridinyl)amino]ethylurea

C9H11N5O — CID 83092415

IUPAC2-[(4-cyano-3-pyridinyl)amino]ethylurea
SMILESN#Cc1ccncc1NCCNC(N)=O
InChIInChI=1S/C9H11N5O/c10-5-7-1-2-12-6-8(7)13-3-4-14-9(11)15/h1-2,6,13H,3-4H2,(H3,11,14,15)
InChIKeyHMRZHZXETHYXGU-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.03
Rot. Bonds4

About 2-[(4-cyano-3-pyridinyl)amino]ethylurea

2-[(4-cyano-3-pyridinyl)amino]ethylurea (PubChem CID 83092415) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[(4-cyano-3-pyridinyl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-cyano-3-pyridinyl)amino]ethylurea
PubChem CID83092415
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-[(4-cyano-3-pyridinyl)amino]ethylurea
SMILESN#Cc1ccncc1NCCNC(N)=O
InChIInChI=1S/C9H11N5O/c10-5-7-1-2-12-6-8(7)13-3-4-14-9(11)15/h1-2,6,13H,3-4H2,(H3,11,14,15)
InChIKeyHMRZHZXETHYXGU-UHFFFAOYSA-N
XLogP0.03
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanoanilino)ethylurea
CID 83111551
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 115883851
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
2-(3-amino-4-cyanoanilino)ethylurea
CID 83116890
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
2-(2-amino-5-cyanoanilino)ethylurea
CID 104712227
3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-pyridinyl)amino]ethylurea?
The IUPAC name of 2-[(4-cyano-3-pyridinyl)amino]ethylurea (CID 83092415) is 2-[(4-cyano-3-pyridinyl)amino]ethylurea.
What is the SMILES notation for 2-[(4-cyano-3-pyridinyl)amino]ethylurea?
The canonical SMILES for 2-[(4-cyano-3-pyridinyl)amino]ethylurea is N#Cc1ccncc1NCCNC(N)=O.
What is the InChIKey of 2-[(4-cyano-3-pyridinyl)amino]ethylurea?
The InChIKey is HMRZHZXETHYXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-5-7-1-2-12-6-8(7)13-3-4-14-9(11)15/h1-2,6,13H,3-4H2,(H3,11,14,15).
What are the key properties of 2-[(4-cyano-3-pyridinyl)amino]ethylurea?
2-[(4-cyano-3-pyridinyl)amino]ethylurea has a molecular weight of 205.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-pyridinyl)amino]ethylurea is sourced from PubChem (CID 83092415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).