1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea

C19H31N3O3 — CID 166262712

IUPAC1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea
SMILESO=C(NCCCn1ccccc1=O)NC(CCO)C1CCCCCC1
InChIInChI=1S/C19H31N3O3/c23-15-11-17(16-8-3-1-2-4-9-16)21-19(25)20-12-7-14-22-13-6-5-10-18(22)24/h5-6,10,13,16-17,23H,1-4,7-9,11-12,14-15H2,(H2,20,21,25)
InChIKeyFQAZQASVTIYIPY-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.26
Rot. Bonds8

About 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea

1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea (PubChem CID 166262712) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea.

Molecular Properties

Compound Name1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea
PubChem CID166262712
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea
SMILESO=C(NCCCn1ccccc1=O)NC(CCO)C1CCCCCC1
InChIInChI=1S/C19H31N3O3/c23-15-11-17(16-8-3-1-2-4-9-16)21-19(25)20-12-7-14-22-13-6-5-10-18(22)24/h5-6,10,13,16-17,23H,1-4,7-9,11-12,14-15H2,(H2,20,21,25)
InChIKeyFQAZQASVTIYIPY-UHFFFAOYSA-N
XLogP2.26
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.26
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

1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
(2R)-2-cyclopentyloxy-N-[3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 96533467
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111426906
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 111426294
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
4-[[(1-cyclohexyl-3-hydroxypropyl)carbamoylamino]methyl]benzoic acid
CID 122020232
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083567
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111919197
1-(1-cycloheptyl-3-hydroxypropyl)-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 166262839

Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea?
The IUPAC name of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea (CID 166262712) is 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea.
What is the SMILES notation for 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea?
The canonical SMILES for 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea is O=C(NCCCn1ccccc1=O)NC(CCO)C1CCCCCC1.
What is the InChIKey of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea?
The InChIKey is FQAZQASVTIYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-15-11-17(16-8-3-1-2-4-9-16)21-19(25)20-12-7-14-22-13-6-5-10-18(22)24/h5-6,10,13,16-17,23H,1-4,7-9,11-12,14-15H2,(H2,20,21,25).
What are the key properties of 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea?
1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea has a molecular weight of 349.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-3-hydroxypropyl)-3-[3-(2-oxo-1-pyridinyl)propyl]urea is sourced from PubChem (CID 166262712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).