3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea

C16H25N3O2 — CID 86799962

IUPAC3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCCCO1)C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C16H25N3O2/c1-3-9-19(12-14-6-4-5-10-21-14)16(20)18-15-11-13(2)7-8-17-15/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,17,18,20)
InChIKeyVZNGJICERUPCAT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.20
Rot. Bonds5

About 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea

3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea (PubChem CID 86799962) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea
PubChem CID86799962
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCCCO1)C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C16H25N3O2/c1-3-9-19(12-14-6-4-5-10-21-14)16(20)18-15-11-13(2)7-8-17-15/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,17,18,20)
InChIKeyVZNGJICERUPCAT-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
3-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(oxan-2-ylmethyl)-1-propylurea
CID 102557257
N-(oxan-2-ylmethyl)-N-propyl-2H-benzotriazole-5-carboxamide
CID 86812984
1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
CID 125160536
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984
1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(oxolan-2-ylmethyl)urea
CID 3305018
1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127597355
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
2-N-(oxolan-2-ylmethyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109083306
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
CID 43818819
1-ethyl-3-(2-methylsulfanylphenyl)-1-(oxan-2-ylmethyl)urea
CID 131892608

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea?
The IUPAC name of 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea (CID 86799962) is 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea.
What is the SMILES notation for 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea?
The canonical SMILES for 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea is CCCN(CC1CCCCO1)C(=O)Nc1cc(C)ccn1.
What is the InChIKey of 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea?
The InChIKey is VZNGJICERUPCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-9-19(12-14-6-4-5-10-21-14)16(20)18-15-11-13(2)7-8-17-15/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,17,18,20).
What are the key properties of 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea?
3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea has a molecular weight of 291.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea is sourced from PubChem (CID 86799962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).