1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

C14H23N3O2 — CID 111455445

IUPAC1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCCC(CCO)NC(=O)NCCc1ccc(C)nc1
InChIInChI=1S/C14H23N3O2/c1-3-13(7-9-18)17-14(19)15-8-6-12-5-4-11(2)16-10-12/h4-5,10,13,18H,3,6-9H2,1-2H3,(H2,15,17,19)
InChIKeyDDMVRCGMFQBQNS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds7

About 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (PubChem CID 111455445) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
PubChem CID111455445
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCCC(CCO)NC(=O)NCCc1ccc(C)nc1
InChIInChI=1S/C14H23N3O2/c1-3-13(7-9-18)17-14(19)15-8-6-12-5-4-11(2)16-10-12/h4-5,10,13,18H,3,6-9H2,1-2H3,(H2,15,17,19)
InChIKeyDDMVRCGMFQBQNS-UHFFFAOYSA-N
XLogP1.39
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea with MolForge

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 111455444
1-[2-(4-bromophenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 108902377
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516422
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516387
1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 110890023
3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 104980540
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
CID 71868268
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 126801666

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (CID 111455445) is 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is CCC(CCO)NC(=O)NCCc1ccc(C)nc1.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The InChIKey is DDMVRCGMFQBQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-13(7-9-18)17-14(19)15-8-6-12-5-4-11(2)16-10-12/h4-5,10,13,18H,3,6-9H2,1-2H3,(H2,15,17,19).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea has a molecular weight of 265.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is sourced from PubChem (CID 111455445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).