1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea

C14H18N6O2 — CID 71893262

IUPAC1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1cn[nH]c1
InChIInChI=1S/C14H18N6O2/c21-14(19-12-9-17-18-10-12)16-8-11-2-1-3-15-13(11)20-4-6-22-7-5-20/h1-3,9-10H,4-8H2,(H,17,18)(H2,16,19,21)
InChIKeySSUCNMIGKFBHDL-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.96
Rot. Bonds4

About 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 71893262) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID71893262
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1cn[nH]c1
InChIInChI=1S/C14H18N6O2/c21-14(19-12-9-17-18-10-12)16-8-11-2-1-3-15-13(11)20-4-6-22-7-5-20/h1-3,9-10H,4-8H2,(H,17,18)(H2,16,19,21)
InChIKeySSUCNMIGKFBHDL-UHFFFAOYSA-N
XLogP0.96
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea (CID 71893262) is 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea is O=C(NCc1cccnc1N1CCOCC1)Nc1cn[nH]c1.
What is the InChIKey of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is SSUCNMIGKFBHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c21-14(19-12-9-17-18-10-12)16-8-11-2-1-3-15-13(11)20-4-6-22-7-5-20/h1-3,9-10H,4-8H2,(H,17,18)(H2,16,19,21).
What are the key properties of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea?
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 302.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 71893262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).