1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea

C18H24N4O2 — CID 56783571

IUPAC1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
SMILESCCCOc1ccc(CNC(=O)N(C)C(C)c2cccnc2)cn1
InChIInChI=1S/C18H24N4O2/c1-4-10-24-17-8-7-15(11-20-17)12-21-18(23)22(3)14(2)16-6-5-9-19-13-16/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,21,23)
InChIKeyLUDDBJXKVRUKCV-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.17
Rot. Bonds7

About 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea

1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea (PubChem CID 56783571) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
PubChem CID56783571
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
SMILESCCCOc1ccc(CNC(=O)N(C)C(C)c2cccnc2)cn1
InChIInChI=1S/C18H24N4O2/c1-4-10-24-17-8-7-15(11-20-17)12-21-18(23)22(3)14(2)16-6-5-9-19-13-16/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,21,23)
InChIKeyLUDDBJXKVRUKCV-UHFFFAOYSA-N
XLogP3.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97089202
3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95774462
4-[[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]methyl]benzoic acid
CID 122021129
3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95762797
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
3-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-3-ylethyl)urea
CID 71972562
1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea
CID 127266062
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95239166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea (CID 56783571) is 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea is CCCOc1ccc(CNC(=O)N(C)C(C)c2cccnc2)cn1.
What is the InChIKey of 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea?
The InChIKey is LUDDBJXKVRUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-10-24-17-8-7-15(11-20-17)12-21-18(23)22(3)14(2)16-6-5-9-19-13-16/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,21,23).
What are the key properties of 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea?
1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea has a molecular weight of 328.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 56783571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).