1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea

C19H22FN3O — CID 144902147

IUPAC1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea
SMILESCCC/C=C(/c1ccc(NC(=O)NC)nc1)c1ccc(F)cc1C
InChIInChI=1S/C19H22FN3O/c1-4-5-6-17(16-9-8-15(20)11-13(16)2)14-7-10-18(22-12-14)23-19(24)21-3/h6-12H,4-5H2,1-3H3,(H2,21,22,23,24)/b17-6-
InChIKeyPWXMVTTZCSKCKN-FMQZQXMHSA-N
MW327.40 g/mol
LogP4.51
Rot. Bonds5

About 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea

1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea (PubChem CID 144902147) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea
PubChem CID144902147
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea
SMILESCCC/C=C(/c1ccc(NC(=O)NC)nc1)c1ccc(F)cc1C
InChIInChI=1S/C19H22FN3O/c1-4-5-6-17(16-9-8-15(20)11-13(16)2)14-7-10-18(22-12-14)23-19(24)21-3/h6-12H,4-5H2,1-3H3,(H2,21,22,23,24)/b17-6-
InChIKeyPWXMVTTZCSKCKN-FMQZQXMHSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methylpyridine
CID 144902233
6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole
CID 144923957
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-[5-[(E)-1-(4-fluoro-2-methylphenyl)but-1-enyl]-2-methyl-3-pyridinyl]acetamide;4-methylhexan-2-one
CID 144902196
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 118945921
1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
CID 177139787
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
[6-[1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol
CID 123525898
4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol
CID 169239333
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea (CID 144902147) is 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea is CCC/C=C(/c1ccc(NC(=O)NC)nc1)c1ccc(F)cc1C.
What is the InChIKey of 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea?
The InChIKey is PWXMVTTZCSKCKN-FMQZQXMHSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-4-5-6-17(16-9-8-15(20)11-13(16)2)14-7-10-18(22-12-14)23-19(24)21-3/h6-12H,4-5H2,1-3H3,(H2,21,22,23,24)/b17-6-.
What are the key properties of 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea?
1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea has a molecular weight of 327.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 144902147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).