1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C14H21N3O — CID 108915269

IUPAC1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1ccc(C)cn1)C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-10-6-7-12(15-8-10)17-13(18)16-9-11(2)14(3,4)5/h6-9H,1-5H3,(H2,15,16,17,18)/b11-9+
InChIKeyCZJMFLMEMRIEKE-PKNBQFBNSA-N
MW247.34 g/mol
LogP3.46
Rot. Bonds2

About 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108915269) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108915269
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1ccc(C)cn1)C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-10-6-7-12(15-8-10)17-13(18)16-9-11(2)14(3,4)5/h6-9H,1-5H3,(H2,15,16,17,18)/b11-9+
InChIKeyCZJMFLMEMRIEKE-PKNBQFBNSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-methylbut-1-enyl]-3-(5-methyl-2-pyridinyl)urea
CID 108914523
1-(6-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915110
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
(E)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 82335627
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
CID 144871417
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
CID 144725404
(E)-4-[(5-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 6032773
1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
CID 18682339
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108915269) is 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)Nc1ccc(C)cn1)C(C)(C)C.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is CZJMFLMEMRIEKE-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-7-12(15-8-10)17-13(18)16-9-11(2)14(3,4)5/h6-9H,1-5H3,(H2,15,16,17,18)/b11-9+.
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 247.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108915269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).