1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea

C16H22N4O2 — CID 94028479

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NCc2cccnc2N(C)C)o1
InChIInChI=1S/C16H22N4O2/c1-11-7-8-14(22-11)12(2)19-16(21)18-10-13-6-5-9-17-15(13)20(3)4/h5-9,12H,10H2,1-4H3,(H2,18,19,21)/t12-/m1/s1
InChIKeyQTNCNKLIWGWXAV-GFCCVEGCSA-N
MW302.38 g/mol
LogP2.61
Rot. Bonds5

About 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 94028479) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID94028479
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NCc2cccnc2N(C)C)o1
InChIInChI=1S/C16H22N4O2/c1-11-7-8-14(22-11)12(2)19-16(21)18-10-13-6-5-9-17-15(13)20(3)4/h5-9,12H,10H2,1-4H3,(H2,18,19,21)/t12-/m1/s1
InChIKeyQTNCNKLIWGWXAV-GFCCVEGCSA-N
XLogP2.61
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028469
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847
1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 51091264
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 126774567
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 51082988
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
CID 94029349
N-[1-(5-methylfuran-2-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320956
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 94026735
N-[3-[[2-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]-4-methylphenyl]-2-methylpropanamide
CID 47041615
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 96518439

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea (CID 94028479) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc([C@@H](C)NC(=O)NCc2cccnc2N(C)C)o1.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is QTNCNKLIWGWXAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-7-8-14(22-11)12(2)19-16(21)18-10-13-6-5-9-17-15(13)20(3)4/h5-9,12H,10H2,1-4H3,(H2,18,19,21)/t12-/m1/s1.
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 94028479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).