1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea

C12H19N3O3 — CID 94780378

IUPAC1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCCN(C[C@@H](C)O)C(=O)Nc1cccnc1OC
InChIInChI=1S/C12H19N3O3/c1-4-15(8-9(2)16)12(17)14-10-6-5-7-13-11(10)18-3/h5-7,9,16H,4,8H2,1-3H3,(H,14,17)/t9-/m1/s1
InChIKeyIDWRDZQXKDLJGL-SECBINFHSA-N
MW253.30 g/mol
LogP1.32
Rot. Bonds5

About 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea

1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 94780378) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID94780378
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCCN(C[C@@H](C)O)C(=O)Nc1cccnc1OC
InChIInChI=1S/C12H19N3O3/c1-4-15(8-9(2)16)12(17)14-10-6-5-7-13-11(10)18-3/h5-7,9,16H,4,8H2,1-3H3,(H,14,17)/t9-/m1/s1
InChIKeyIDWRDZQXKDLJGL-SECBINFHSA-N
XLogP1.32
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62874297
4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 56817760
3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid
CID 122442933
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea (CID 94780378) is 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea is CCN(C[C@@H](C)O)C(=O)Nc1cccnc1OC.
What is the InChIKey of 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is IDWRDZQXKDLJGL-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-15(8-9(2)16)12(17)14-10-6-5-7-13-11(10)18-3/h5-7,9,16H,4,8H2,1-3H3,(H,14,17)/t9-/m1/s1.
What are the key properties of 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 253.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 94780378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).