1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea

C14H21N5O — CID 57086536

IUPAC1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea
SMILES[H]/N=C(\N)N(CCCc1cccnc1)C(=O)NC1CCC1
InChIInChI=1S/C14H21N5O/c15-13(16)19(14(20)18-12-6-1-7-12)9-3-5-11-4-2-8-17-10-11/h2,4,8,10,12H,1,3,5-7,9H2,(H3,15,16)(H,18,20)
InChIKeyFIQXFCVWVZSCSU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.47
Rot. Bonds5

About 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea

1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea (PubChem CID 57086536) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea.

Molecular Properties

Compound Name1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea
PubChem CID57086536
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea
SMILES[H]/N=C(\N)N(CCCc1cccnc1)C(=O)NC1CCC1
InChIInChI=1S/C14H21N5O/c15-13(16)19(14(20)18-12-6-1-7-12)9-3-5-11-4-2-8-17-10-11/h2,4,8,10,12H,1,3,5-7,9H2,(H3,15,16)(H,18,20)
InChIKeyFIQXFCVWVZSCSU-UHFFFAOYSA-N
XLogP1.47
TPSA95.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.47
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

3-benzyl-1-carbamimidoyl-1-(3-pyridin-3-ylpropyl)urea
CID 57094387
3-benzyl-1-carbamimidoyl-1-(2-pyridin-3-ylethyl)urea
CID 57236227
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
1-carbamimidoyl-3-prop-2-enyl-1-(3-pyridin-4-ylpropyl)urea
CID 57053090
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
3-pyridin-3-ylpropyl 3-cyclopentylpropanoate
CID 78842165
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305
3-(2-cyclobutylethyl)pyridine
CID 57204476
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea?
The IUPAC name of 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea (CID 57086536) is 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea.
What is the SMILES notation for 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea?
The canonical SMILES for 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea is [H]/N=C(\N)N(CCCc1cccnc1)C(=O)NC1CCC1.
What is the InChIKey of 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea?
The InChIKey is FIQXFCVWVZSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-13(16)19(14(20)18-12-6-1-7-12)9-3-5-11-4-2-8-17-10-11/h2,4,8,10,12H,1,3,5-7,9H2,(H3,15,16)(H,18,20).
What are the key properties of 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea?
1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea has a molecular weight of 275.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-3-cyclobutyl-1-(3-pyridin-3-ylpropyl)urea is sourced from PubChem (CID 57086536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).