1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea

C19H29N3O2 — CID 97235565

IUPAC1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESCc1ccc(CCNC(=O)N[C@H]2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C19H29N3O2/c1-15-5-6-16(14-21-15)7-11-20-18(23)22-17-8-12-24-19(13-17)9-3-2-4-10-19/h5-6,14,17H,2-4,7-13H2,1H3,(H2,20,22,23)/t17-/m0/s1
InChIKeyOWNNEVAQOGQYOW-KRWDZBQOSA-N
MW331.46 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea

1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea (PubChem CID 97235565) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea.

Molecular Properties

Compound Name1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
PubChem CID97235565
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESCc1ccc(CCNC(=O)N[C@H]2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C19H29N3O2/c1-15-5-6-16(14-21-15)7-11-20-18(23)22-17-8-12-24-19(13-17)9-3-2-4-10-19/h5-6,14,17H,2-4,7-13H2,1H3,(H2,20,22,23)/t17-/m0/s1
InChIKeyOWNNEVAQOGQYOW-KRWDZBQOSA-N
XLogP3.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]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-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 155949862
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-(4-phenoxybutyl)urea
CID 98559377
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-3-(3-phenylprop-2-ynyl)urea
CID 97235497
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769678
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
1-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97306075
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
1-(4-imidazol-1-ylbutyl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769676
1-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(9R)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97234916

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
The IUPAC name of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea (CID 97235565) is 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea.
What is the SMILES notation for 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
The canonical SMILES for 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea is Cc1ccc(CCNC(=O)N[C@H]2CCOC3(CCCCC3)C2)cn1.
What is the InChIKey of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
The InChIKey is OWNNEVAQOGQYOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-5-6-16(14-21-15)7-11-20-18(23)22-17-8-12-24-19(13-17)9-3-2-4-10-19/h5-6,14,17H,2-4,7-13H2,1H3,(H2,20,22,23)/t17-/m0/s1.
What are the key properties of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea has a molecular weight of 331.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea is sourced from PubChem (CID 97235565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).