1,2-dihydropyridin-4-ylmethylurea

C7H11N3O — CID 138478211

IUPAC1,2-dihydropyridin-4-ylmethylurea
SMILESNC(=O)NCC1=CCNC=C1
InChIInChI=1S/C7H11N3O/c8-7(11)10-5-6-1-3-9-4-2-6/h1-3,9H,4-5H2,(H3,8,10,11)
InChIKeyJHVDHQASLXVECH-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.30
Rot. Bonds2

About 1,2-dihydropyridin-4-ylmethylurea

1,2-dihydropyridin-4-ylmethylurea (PubChem CID 138478211) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1,2-dihydropyridin-4-ylmethylurea.

Molecular Properties

Compound Name1,2-dihydropyridin-4-ylmethylurea
PubChem CID138478211
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1,2-dihydropyridin-4-ylmethylurea
SMILESNC(=O)NCC1=CCNC=C1
InChIInChI=1S/C7H11N3O/c8-7(11)10-5-6-1-3-9-4-2-6/h1-3,9H,4-5H2,(H3,8,10,11)
InChIKeyJHVDHQASLXVECH-UHFFFAOYSA-N
XLogP-0.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1,2-dihydropyridin-4-ylmethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-4-ylmethylurea?
The IUPAC name of 1,2-dihydropyridin-4-ylmethylurea (CID 138478211) is 1,2-dihydropyridin-4-ylmethylurea.
What is the SMILES notation for 1,2-dihydropyridin-4-ylmethylurea?
The canonical SMILES for 1,2-dihydropyridin-4-ylmethylurea is NC(=O)NCC1=CCNC=C1.
What is the InChIKey of 1,2-dihydropyridin-4-ylmethylurea?
The InChIKey is JHVDHQASLXVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-7(11)10-5-6-1-3-9-4-2-6/h1-3,9H,4-5H2,(H3,8,10,11).
What are the key properties of 1,2-dihydropyridin-4-ylmethylurea?
1,2-dihydropyridin-4-ylmethylurea has a molecular weight of 153.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-4-ylmethylurea is sourced from PubChem (CID 138478211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).