1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea

C11H17N3O — CID 114955224

IUPAC1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cnccc1C
InChIInChI=1S/C11H17N3O/c1-3-5-13-11(15)14-8-10-7-12-6-4-9(10)2/h4,6-7H,3,5,8H2,1-2H3,(H2,13,14,15)
InChIKeyYWEPJULPFCXESZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.60
Rot. Bonds4

About 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea

1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea (PubChem CID 114955224) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
PubChem CID114955224
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cnccc1C
InChIInChI=1S/C11H17N3O/c1-3-5-13-11(15)14-8-10-7-12-6-4-9(10)2/h4,6-7H,3,5,8H2,1-2H3,(H2,13,14,15)
InChIKeyYWEPJULPFCXESZ-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114957408
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114956458
4-methyl-2-[(4-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114957104
ethyl 3,3-dimethyl-2-[(4-methyl-3-pyridinyl)methylcarbamoyl]butanoate
CID 114957287
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114955965
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107036589
5-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377154
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114701436

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea?
The IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea (CID 114955224) is 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea is CCCNC(=O)NCc1cnccc1C.
What is the InChIKey of 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea?
The InChIKey is YWEPJULPFCXESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-5-13-11(15)14-8-10-7-12-6-4-9(10)2/h4,6-7H,3,5,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea?
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea has a molecular weight of 207.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea is sourced from PubChem (CID 114955224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).