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

C14H21N3O3 — CID 94147343

IUPAC1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)Nc1cccnc1OC
InChIInChI=1S/C14H21N3O3/c1-3-17(9-11-6-8-20-10-11)14(18)16-12-5-4-7-15-13(12)19-2/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyQQSTWSGCTQKPDE-NSHDSACASA-N
MW279.34 g/mol
LogP1.98
Rot. Bonds5

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

1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 94147343) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID94147343
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)Nc1cccnc1OC
InChIInChI=1S/C14H21N3O3/c1-3-17(9-11-6-8-20-10-11)14(18)16-12-5-4-7-15-13(12)19-2/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyQQSTWSGCTQKPDE-NSHDSACASA-N
XLogP1.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
CID 91905721
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 53498159
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 94176691
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
(2R)-N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97030699
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94140840
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea (CID 94147343) is 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea is CCN(C[C@@H]1CCOC1)C(=O)Nc1cccnc1OC.
What is the InChIKey of 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is QQSTWSGCTQKPDE-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17(9-11-6-8-20-10-11)14(18)16-12-5-4-7-15-13(12)19-2/h4-5,7,11H,3,6,8-10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea?
1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 279.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94147343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).