1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea

C17H24N4O3 — CID 71856055

IUPAC1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea
SMILESCOc1ncc(C)cc1NC(=O)N(CCN(C)C)Cc1ccco1
InChIInChI=1S/C17H24N4O3/c1-13-10-15(16(23-4)18-11-13)19-17(22)21(8-7-20(2)3)12-14-6-5-9-24-14/h5-6,9-11H,7-8,12H2,1-4H3,(H,19,22)
InChIKeyLTVDOJHTHXVGMX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.59
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea

1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea (PubChem CID 71856055) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea
PubChem CID71856055
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea
SMILESCOc1ncc(C)cc1NC(=O)N(CCN(C)C)Cc1ccco1
InChIInChI=1S/C17H24N4O3/c1-13-10-15(16(23-4)18-11-13)19-17(22)21(8-7-20(2)3)12-14-6-5-9-24-14/h5-6,9-11H,7-8,12H2,1-4H3,(H,19,22)
InChIKeyLTVDOJHTHXVGMX-UHFFFAOYSA-N
XLogP2.59
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86793421
5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 71972308
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743357
1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea
CID 71855981
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
N,N-bis(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103029007
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158037
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 67698513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea (CID 71856055) is 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea is COc1ncc(C)cc1NC(=O)N(CCN(C)C)Cc1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea?
The InChIKey is LTVDOJHTHXVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-10-15(16(23-4)18-11-13)19-17(22)21(8-7-20(2)3)12-14-6-5-9-24-14/h5-6,9-11H,7-8,12H2,1-4H3,(H,19,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea?
1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea has a molecular weight of 332.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea is sourced from PubChem (CID 71856055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).