3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide

C25H26N4O3 — CID 167684512

IUPAC3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
SMILESO=C1CCN=C(NC(=O)c2ccc(Nc3cccc(C(=O)CC4CC4)c3)c(C3CC3)c2)N1
InChIInChI=1S/C25H26N4O3/c30-22(12-15-4-5-15)17-2-1-3-19(13-17)27-21-9-8-18(14-20(21)16-6-7-16)24(32)29-25-26-11-10-23(31)28-25/h1-3,8-9,13-16,27H,4-7,10-12H2,(H2,26,28,29,31,32)
InChIKeyWAENLLMDXOWZSM-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.90
Rot. Bonds7

About 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide

3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide (PubChem CID 167684512) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
PubChem CID167684512
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
SMILESO=C1CCN=C(NC(=O)c2ccc(Nc3cccc(C(=O)CC4CC4)c3)c(C3CC3)c2)N1
InChIInChI=1S/C25H26N4O3/c30-22(12-15-4-5-15)17-2-1-3-19(13-17)27-21-9-8-18(14-20(21)16-6-7-16)24(32)29-25-26-11-10-23(31)28-25/h1-3,8-9,13-16,27H,4-7,10-12H2,(H2,26,28,29,31,32)
InChIKeyWAENLLMDXOWZSM-UHFFFAOYSA-N
XLogP3.90
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
CID 155586831
3-cyclopropyl-4-[3-[(1-methylcyclopropyl)carbamoyl]anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295630
3-cyclopropyl-4-[3-(6-methylheptanoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 167622489
3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295658
3-cyclopropyl-N-pyrimidin-2-yl-4-[3-(2,2,2-trifluoroethylcarbamoyl)anilino]benzamide
CID 175154520
4-[3-[2-(3-cyclohexylpropyl)tetrazol-5-yl]anilino]-3-cyclopropyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295671
3-cyclopropyl-4-[4-methyl-3-(4-methylpentanoylamino)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146300556
3-methyl-4-[3-(5-methylhexanoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 167645173
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815
4-[3-(3-cyclohexylpropanoylamino)anilino]-3-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295606
4-[2-chloro-3-(morpholine-4-carbonyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)-3-propan-2-ylbenzamide
CID 153391600
N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
CID 173309503

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The IUPAC name of 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide (CID 167684512) is 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The canonical SMILES for 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide is O=C1CCN=C(NC(=O)c2ccc(Nc3cccc(C(=O)CC4CC4)c3)c(C3CC3)c2)N1.
What is the InChIKey of 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
The InChIKey is WAENLLMDXOWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-22(12-15-4-5-15)17-2-1-3-19(13-17)27-21-9-8-18(14-20(21)16-6-7-16)24(32)29-25-26-11-10-23(31)28-25/h1-3,8-9,13-16,27H,4-7,10-12H2,(H2,26,28,29,31,32).
What are the key properties of 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide?
3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide is sourced from PubChem (CID 167684512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).