1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea

C15H18N4O2 — CID 75444064

IUPAC1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea
SMILESCCCOc1cc(CNC(=O)Nc2ccccn2)ccn1
InChIInChI=1S/C15H18N4O2/c1-2-9-21-14-10-12(6-8-17-14)11-18-15(20)19-13-5-3-4-7-16-13/h3-8,10H,2,9,11H2,1H3,(H2,16,18,19,20)
InChIKeyKPNCILCAYDKKQA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.59
Rot. Bonds6

About 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea

1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea (PubChem CID 75444064) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea
PubChem CID75444064
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea
SMILESCCCOc1cc(CNC(=O)Nc2ccccn2)ccn1
InChIInChI=1S/C15H18N4O2/c1-2-9-21-14-10-12(6-8-17-14)11-18-15(20)19-13-5-3-4-7-16-13/h3-8,10H,2,9,11H2,1H3,(H2,16,18,19,20)
InChIKeyKPNCILCAYDKKQA-UHFFFAOYSA-N
XLogP2.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea (CID 75444064) is 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea is CCCOc1cc(CNC(=O)Nc2ccccn2)ccn1.
What is the InChIKey of 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea?
The InChIKey is KPNCILCAYDKKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-9-21-14-10-12(6-8-17-14)11-18-15(20)19-13-5-3-4-7-16-13/h3-8,10H,2,9,11H2,1H3,(H2,16,18,19,20).
What are the key properties of 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea?
1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea has a molecular weight of 286.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propoxy-4-pyridinyl)methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 75444064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).