1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea

C18H23N3O2 — CID 87003004

IUPAC1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C18H23N3O2/c1-3-11-21(14-15-7-5-4-6-8-15)18(22)20-13-16-9-10-17(23-2)19-12-16/h4-10,12H,3,11,13-14H2,1-2H3,(H,20,22)
InChIKeyWPIRKTQUDBAOGD-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.21
Rot. Bonds7

About 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea

1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea (PubChem CID 87003004) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea.

Molecular Properties

Compound Name1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea
PubChem CID87003004
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C18H23N3O2/c1-3-11-21(14-15-7-5-4-6-8-15)18(22)20-13-16-9-10-17(23-2)19-12-16/h4-10,12H,3,11,13-14H2,1-2H3,(H,20,22)
InChIKeyWPIRKTQUDBAOGD-UHFFFAOYSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-methoxy-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 134031302
1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 110954680
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 811069
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 62994376
2-benzyl-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51316857
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 811008

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea?
The IUPAC name of 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea (CID 87003004) is 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea.
What is the SMILES notation for 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea?
The canonical SMILES for 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea is CCCN(Cc1ccccc1)C(=O)NCc1ccc(OC)nc1.
What is the InChIKey of 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea?
The InChIKey is WPIRKTQUDBAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-11-21(14-15-7-5-4-6-8-15)18(22)20-13-16-9-10-17(23-2)19-12-16/h4-10,12H,3,11,13-14H2,1-2H3,(H,20,22).
What are the key properties of 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea?
1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea has a molecular weight of 313.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-1-propylurea is sourced from PubChem (CID 87003004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).