1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

C15H25N3O2 — CID 109399207

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC(CO)CC(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)8-14(10-19)18-15(20)17-7-5-13-4-6-16-9-12(13)3/h4,6,9,11,14,19H,5,7-8,10H2,1-3H3,(H2,17,18,20)
InChIKeyGNOFUMMSHNRRRD-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.64
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 109399207) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID109399207
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC(CO)CC(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)8-14(10-19)18-15(20)17-7-5-13-4-6-16-9-12(13)3/h4,6,9,11,14,19H,5,7-8,10H2,1-3H3,(H2,17,18,20)
InChIKeyGNOFUMMSHNRRRD-UHFFFAOYSA-N
XLogP1.64
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxypentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109398845
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242775
1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 48718367
trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97242772
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 84599314
1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 126831662
1-ethyl-2-(2-methylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109401423
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 75389175

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 109399207) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)NC(CO)CC(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is GNOFUMMSHNRRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)8-14(10-19)18-15(20)17-7-5-13-4-6-16-9-12(13)3/h4,6,9,11,14,19H,5,7-8,10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 279.38 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 109399207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).