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

C14H18N4O2 — CID 97021422

IUPAC1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea
SMILESCOc1ncccc1NC(=O)N[C@@H](C)c1ccn(C)c1
InChIInChI=1S/C14H18N4O2/c1-10(11-6-8-18(2)9-11)16-14(19)17-12-5-4-7-15-13(12)20-3/h4-10H,1-3H3,(H2,16,17,19)/t10-/m0/s1
InChIKeyRAXPHUDGGWQNLO-JTQLQIEISA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds4

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

1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea (PubChem CID 97021422) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea
PubChem CID97021422
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea
SMILESCOc1ncccc1NC(=O)N[C@@H](C)c1ccn(C)c1
InChIInChI=1S/C14H18N4O2/c1-10(11-6-8-18(2)9-11)16-14(19)17-12-5-4-7-15-13(12)20-3/h4-10H,1-3H3,(H2,16,17,19)/t10-/m0/s1
InChIKeyRAXPHUDGGWQNLO-JTQLQIEISA-N
XLogP2.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(1H-imidazol-2-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
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1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea
CID 130643698
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
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1-(2-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)urea
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1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
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CID 62727393
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
CID 68530343
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea
CID 68534808
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea (CID 97021422) is 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea is COc1ncccc1NC(=O)N[C@@H](C)c1ccn(C)c1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea?
The InChIKey is RAXPHUDGGWQNLO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(11-6-8-18(2)9-11)16-14(19)17-12-5-4-7-15-13(12)20-3/h4-10H,1-3H3,(H2,16,17,19)/t10-/m0/s1.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea?
1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea has a molecular weight of 274.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-[(1S)-1-(1-methylpyrrol-3-yl)ethyl]urea is sourced from PubChem (CID 97021422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).