1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea

C25H31N3O5 — CID 46438450

IUPAC1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3cccc(NC(=O)NC(C)C)c3)CC2)c(OC)c1
InChIInChI=1S/C25H31N3O5/c1-16(2)26-25(30)27-19-8-6-7-18(13-19)24(29)28-11-9-17(10-12-28)23-21(32-4)14-20(31-3)15-22(23)33-5/h6-9,13-16H,10-12H2,1-5H3,(H2,26,27,30)
InChIKeyWOWOUSHYNAEPLW-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.17
Rot. Bonds7

About 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea

1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea (PubChem CID 46438450) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea
PubChem CID46438450
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3cccc(NC(=O)NC(C)C)c3)CC2)c(OC)c1
InChIInChI=1S/C25H31N3O5/c1-16(2)26-25(30)27-19-8-6-7-18(13-19)24(29)28-11-9-17(10-12-28)23-21(32-4)14-20(31-3)15-22(23)33-5/h6-9,13-16H,10-12H2,1-5H3,(H2,26,27,30)
InChIKeyWOWOUSHYNAEPLW-UHFFFAOYSA-N
XLogP4.17
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea with MolForge

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Related Compounds

(2-methoxyphenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264904
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide
CID 42281101
(2-chlorocyclohexen-1-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71899480
(2-sulfanylidene-1H-pyridin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 43046682
1-pyrrolidin-1-yl-2-[2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]sulfanylethanone
CID 33265215
(2R)-2-(4-methylphenoxy)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 42280733
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082
3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
CID 42281123
(2,6-dimethylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24572845
1-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55649667
1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120734964

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea (CID 46438450) is 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea is COc1cc(OC)c(C2=CCN(C(=O)c3cccc(NC(=O)NC(C)C)c3)CC2)c(OC)c1.
What is the InChIKey of 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea?
The InChIKey is WOWOUSHYNAEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-16(2)26-25(30)27-19-8-6-7-18(13-19)24(29)28-11-9-17(10-12-28)23-21(32-4)14-20(31-3)15-22(23)33-5/h6-9,13-16H,10-12H2,1-5H3,(H2,26,27,30).
What are the key properties of 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea?
1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea has a molecular weight of 453.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 46438450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).