3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea

C15H24N4O2 — CID 164635631

IUPAC3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea
SMILESCCN(C(=O)NCc1cccc(N(C)C)n1)[C@H]1CCOC1
InChIInChI=1S/C15H24N4O2/c1-4-19(13-8-9-21-11-13)15(20)16-10-12-6-5-7-14(17-12)18(2)3/h5-7,13H,4,8-11H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyJOLKJXQWFDNSFZ-ZDUSSCGKSA-N
MW292.38 g/mol
LogP1.47
Rot. Bonds5

About 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea

3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea (PubChem CID 164635631) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea.

Molecular Properties

Compound Name3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea
PubChem CID164635631
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea
SMILESCCN(C(=O)NCc1cccc(N(C)C)n1)[C@H]1CCOC1
InChIInChI=1S/C15H24N4O2/c1-4-19(13-8-9-21-11-13)15(20)16-10-12-6-5-7-14(17-12)18(2)3/h5-7,13H,4,8-11H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyJOLKJXQWFDNSFZ-ZDUSSCGKSA-N
XLogP1.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea?
The IUPAC name of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea (CID 164635631) is 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea.
What is the SMILES notation for 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea?
The canonical SMILES for 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea is CCN(C(=O)NCc1cccc(N(C)C)n1)[C@H]1CCOC1.
What is the InChIKey of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea?
The InChIKey is JOLKJXQWFDNSFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-19(13-8-9-21-11-13)15(20)16-10-12-6-5-7-14(17-12)18(2)3/h5-7,13H,4,8-11H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea?
3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-1-[(3S)-oxolan-3-yl]urea is sourced from PubChem (CID 164635631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).