1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

C14H24N4O2 — CID 94168619

IUPAC1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)Nc1ccc(N(CC)CC)nc1
InChIInChI=1S/C14H24N4O2/c1-4-11(10-19)16-14(20)17-12-7-8-13(15-9-12)18(5-2)6-3/h7-9,11,19H,4-6,10H2,1-3H3,(H2,16,17,20)/t11-/m1/s1
InChIKeyDZYUAIYMDQHEFJ-LLVKDONJSA-N
MW280.37 g/mol
LogP1.82
Rot. Bonds7

About 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (PubChem CID 94168619) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
PubChem CID94168619
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)Nc1ccc(N(CC)CC)nc1
InChIInChI=1S/C14H24N4O2/c1-4-11(10-19)16-14(20)17-12-7-8-13(15-9-12)18(5-2)6-3/h7-9,11,19H,4-6,10H2,1-3H3,(H2,16,17,20)/t11-/m1/s1
InChIKeyDZYUAIYMDQHEFJ-LLVKDONJSA-N
XLogP1.82
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
1-[6-(diethylamino)-3-pyridinyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119947
2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
CID 47041050
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
methyl 2-[[6-(diethylamino)-3-pyridinyl]amino]butanoate
CID 115352651
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (CID 94168619) is 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is CC[C@H](CO)NC(=O)Nc1ccc(N(CC)CC)nc1.
What is the InChIKey of 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The InChIKey is DZYUAIYMDQHEFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-11(10-19)16-14(20)17-12-7-8-13(15-9-12)18(5-2)6-3/h7-9,11,19H,4-6,10H2,1-3H3,(H2,16,17,20)/t11-/m1/s1.
What are the key properties of 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 94168619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).