1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea

C17H20N4O2 — CID 60610661

IUPAC1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C17H20N4O2/c22-17(20-10-14-2-1-7-18-8-14)21-11-15-5-6-16(19-9-15)23-12-13-3-4-13/h1-2,5-9,13H,3-4,10-12H2,(H2,20,21,22)
InChIKeyGLXXKTUSGZWRED-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds7

About 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea

1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 60610661) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID60610661
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C17H20N4O2/c22-17(20-10-14-2-1-7-18-8-14)21-11-15-5-6-16(19-9-15)23-12-13-3-4-13/h1-2,5-9,13H,3-4,10-12H2,(H2,20,21,22)
InChIKeyGLXXKTUSGZWRED-UHFFFAOYSA-N
XLogP2.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea with MolForge

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Related Compounds

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430830
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51102664
1-[(2R)-2-(azepan-1-yl)-3-methylbutyl]-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 97078290
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025154
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 95687305
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 86904655
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52506923
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 99702373

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea (CID 60610661) is 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NCc1ccc(OCC2CC2)nc1.
What is the InChIKey of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is GLXXKTUSGZWRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(20-10-14-2-1-7-18-8-14)21-11-15-5-6-16(19-9-15)23-12-13-3-4-13/h1-2,5-9,13H,3-4,10-12H2,(H2,20,21,22).
What are the key properties of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea?
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 312.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 60610661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).