1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea

C16H25N3O4 — CID 97255262

IUPAC1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
SMILESCOCCOc1ccc(NC(=O)NC[C@H]2CCO[C@@H](C)C2)cn1
InChIInChI=1S/C16H25N3O4/c1-12-9-13(5-6-22-12)10-18-16(20)19-14-3-4-15(17-11-14)23-8-7-21-2/h3-4,11-13H,5-10H2,1-2H3,(H2,18,19,20)/t12-,13-/m0/s1
InChIKeyDLTZHTDKUOCAPZ-STQMWFEESA-N
MW323.39 g/mol
LogP2.04
Rot. Bonds7

About 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea

1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea (PubChem CID 97255262) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
PubChem CID97255262
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
SMILESCOCCOc1ccc(NC(=O)NC[C@H]2CCO[C@@H](C)C2)cn1
InChIInChI=1S/C16H25N3O4/c1-12-9-13(5-6-22-12)10-18-16(20)19-14-3-4-15(17-11-14)23-8-7-21-2/h3-4,11-13H,5-10H2,1-2H3,(H2,18,19,20)/t12-,13-/m0/s1
InChIKeyDLTZHTDKUOCAPZ-STQMWFEESA-N
XLogP2.04
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 75440822
1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 97255743
1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 52910218
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47220631
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide
CID 102777809
1-[[(2R,4S)-2-methyloxan-4-yl]methyl]-3-quinolin-8-ylurea
CID 97255277
3-(cyclopropylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 60867259
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-morpholin-2-ylacetamide
CID 66435526
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
N-[(2-methyloxan-4-yl)methyl]acetamide
CID 127727731

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
The IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea (CID 97255262) is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea.
What is the SMILES notation for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
The canonical SMILES for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea is COCCOc1ccc(NC(=O)NC[C@H]2CCO[C@@H](C)C2)cn1.
What is the InChIKey of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
The InChIKey is DLTZHTDKUOCAPZ-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N3O4/c1-12-9-13(5-6-22-12)10-18-16(20)19-14-3-4-15(17-11-14)23-8-7-21-2/h3-4,11-13H,5-10H2,1-2H3,(H2,18,19,20)/t12-,13-/m0/s1.
What are the key properties of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea has a molecular weight of 323.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea is sourced from PubChem (CID 97255262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).