1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C17H24N4O3 — CID 111479464

IUPAC1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NCc2ccnc(N(C)C)c2)o1
InChIInChI=1S/C17H24N4O3/c1-12-5-6-14(24-12)17(2,23)11-20-16(22)19-10-13-7-8-18-15(9-13)21(3)4/h5-9,23H,10-11H2,1-4H3,(H2,19,20,22)
InChIKeyCCRKGFVDAGODOK-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.76
Rot. Bonds6

About 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 111479464) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID111479464
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NCc2ccnc(N(C)C)c2)o1
InChIInChI=1S/C17H24N4O3/c1-12-5-6-14(24-12)17(2,23)11-20-16(22)19-10-13-7-8-18-15(9-13)21(3)4/h5-9,23H,10-11H2,1-4H3,(H2,19,20,22)
InChIKeyCCRKGFVDAGODOK-UHFFFAOYSA-N
XLogP1.76
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea with MolForge

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Related Compounds

1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111506383
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479428
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111482880
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111506172
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 51082981
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75456076

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 111479464) is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is Cc1ccc(C(C)(O)CNC(=O)NCc2ccnc(N(C)C)c2)o1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is CCRKGFVDAGODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-5-6-14(24-12)17(2,23)11-20-16(22)19-10-13-7-8-18-15(9-13)21(3)4/h5-9,23H,10-11H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 332.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 111479464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).