1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea

C14H24N4O2 — CID 111473738

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCC(C)C(CCO)NC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H24N4O2/c1-10(2)12(7-8-19)17-14(20)16-11-5-6-13(15-9-11)18(3)4/h5-6,9-10,12,19H,7-8H2,1-4H3,(H2,16,17,20)
InChIKeySCMFIYTYQALDNX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.68
Rot. Bonds6

About 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea

1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea (PubChem CID 111473738) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
PubChem CID111473738
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCC(C)C(CCO)NC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H24N4O2/c1-10(2)12(7-8-19)17-14(20)16-11-5-6-13(15-9-11)18(3)4/h5-6,9-10,12,19H,7-8H2,1-4H3,(H2,16,17,20)
InChIKeySCMFIYTYQALDNX-UHFFFAOYSA-N
XLogP1.68
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885
1-[6-(dimethylamino)-3-pyridinyl]-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116864
1-[(3R)-1-hydroxy-4-methylpentan-3-yl]-3-(4-nitrophenyl)urea
CID 97318875
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911313
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
CID 62838640
3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid
CID 82310226
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111521235
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936304
4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
CID 64894459
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea (CID 111473738) is 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea is CC(C)C(CCO)NC(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The InChIKey is SCMFIYTYQALDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)12(7-8-19)17-14(20)16-11-5-6-13(15-9-11)18(3)4/h5-6,9-10,12,19H,7-8H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea?
1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea is sourced from PubChem (CID 111473738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).