1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea

C16H19N3O — CID 6465275

IUPAC1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H19N3O/c1-11(2)13-7-9-14(10-8-13)18-16(20)19-15-6-4-5-12(3)17-15/h4-11H,1-3H3,(H2,17,18,19,20)
InChIKeyHFKLJSWEBWRLGQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.16
Rot. Bonds3

About 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea

1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 6465275) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID6465275
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H19N3O/c1-11(2)13-7-9-14(10-8-13)18-16(20)19-15-6-4-5-12(3)17-15/h4-11H,1-3H3,(H2,17,18,19,20)
InChIKeyHFKLJSWEBWRLGQ-UHFFFAOYSA-N
XLogP4.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339471
1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339473
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(6-methyl-2-pyridinyl)urea
CID 108872222
1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
CID 97337891
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide
CID 142036807
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea (CID 6465275) is 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is HFKLJSWEBWRLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)13-7-9-14(10-8-13)18-16(20)19-15-6-4-5-12(3)17-15/h4-11H,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea?
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 269.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 6465275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).