1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea

C18H26N4O3 — CID 96518439

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
SMILESCc1cc([C@](C)(O)CNC(=O)NCc2cccnc2N(C)C)c(C)o1
InChIInChI=1S/C18H26N4O3/c1-12-9-15(13(2)25-12)18(3,24)11-21-17(23)20-10-14-7-6-8-19-16(14)22(4)5/h6-9,24H,10-11H2,1-5H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyQDRNKXZEBRXRNE-GOSISDBHSA-N
MW346.43 g/mol
LogP2.06
Rot. Bonds6

About 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea (PubChem CID 96518439) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
PubChem CID96518439
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
SMILESCc1cc([C@](C)(O)CNC(=O)NCc2cccnc2N(C)C)c(C)o1
InChIInChI=1S/C18H26N4O3/c1-12-9-15(13(2)25-12)18(3,24)11-21-17(23)20-10-14-7-6-8-19-16(14)22(4)5/h6-9,24H,10-11H2,1-5H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyQDRNKXZEBRXRNE-GOSISDBHSA-N
XLogP2.06
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea with MolForge

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Related Compounds

2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethylguanidine;hydroiodide
CID 111660554
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 111482799
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111479003
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 55910993
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 51082988
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111479268
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 94027737

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea (CID 96518439) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea is Cc1cc([C@](C)(O)CNC(=O)NCc2cccnc2N(C)C)c(C)o1.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The InChIKey is QDRNKXZEBRXRNE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-9-15(13(2)25-12)18(3,24)11-21-17(23)20-10-14-7-6-8-19-16(14)22(4)5/h6-9,24H,10-11H2,1-5H3,(H2,20,21,23)/t18-/m1/s1.
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea has a molecular weight of 346.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 96518439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).