1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea

C21H26N4O3 — CID 74247537

IUPAC1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
SMILESCCCCNC(=O)Nc1ccc(-c2cc(C(=O)N3CCOCC3)ccn2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-3-9-23-21(27)24-18-6-4-16(5-7-18)19-15-17(8-10-22-19)20(26)25-11-13-28-14-12-25/h4-8,10,15H,2-3,9,11-14H2,1H3,(H2,23,24,27)
InChIKeyFSRNFHGYFKOWGP-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.14
Rot. Bonds6

About 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea

1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea (PubChem CID 74247537) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea.

Molecular Properties

Compound Name1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
PubChem CID74247537
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
SMILESCCCCNC(=O)Nc1ccc(-c2cc(C(=O)N3CCOCC3)ccn2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-3-9-23-21(27)24-18-6-4-16(5-7-18)19-15-17(8-10-22-19)20(26)25-11-13-28-14-12-25/h4-8,10,15H,2-3,9,11-14H2,1H3,(H2,23,24,27)
InChIKeyFSRNFHGYFKOWGP-UHFFFAOYSA-N
XLogP3.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-butyl-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
CID 17283707
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
1-butyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 3295410
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
CID 58585961
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885
1-butyl-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 42751582

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea?
The IUPAC name of 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea (CID 74247537) is 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea.
What is the SMILES notation for 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea?
The canonical SMILES for 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea is CCCCNC(=O)Nc1ccc(-c2cc(C(=O)N3CCOCC3)ccn2)cc1.
What is the InChIKey of 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea?
The InChIKey is FSRNFHGYFKOWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-3-9-23-21(27)24-18-6-4-16(5-7-18)19-15-17(8-10-22-19)20(26)25-11-13-28-14-12-25/h4-8,10,15H,2-3,9,11-14H2,1H3,(H2,23,24,27).
What are the key properties of 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea?
1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea has a molecular weight of 382.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea is sourced from PubChem (CID 74247537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).