(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide

C23H22N4O3 — CID 33248445

IUPAC(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)ccc21
InChIInChI=1S/C23H22N4O3/c1-4-27-19-8-6-5-7-17(19)18-13-16(10-11-20(18)27)24-21(28)12-9-15-14-25(2)23(30)26(3)22(15)29/h5-14H,4H2,1-3H3,(H,24,28)/b12-9+
InChIKeyHLVHPLZKGVBKKD-FMIVXFBMSA-N
MW402.45 g/mol
LogP2.86
Rot. Bonds4

About (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide (PubChem CID 33248445) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide
PubChem CID33248445
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)ccc21
InChIInChI=1S/C23H22N4O3/c1-4-27-19-8-6-5-7-17(19)18-13-16(10-11-20(18)27)24-21(28)12-9-15-14-25(2)23(30)26(3)22(15)29/h5-14H,4H2,1-3H3,(H,24,28)/b12-9+
InChIKeyHLVHPLZKGVBKKD-FMIVXFBMSA-N
XLogP2.86
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17164828
(E)-N-(3-acetylphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 33219428
N-(1,3-dihydro-2-benzofuran-5-yl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 136519483
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 35740949
(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide
CID 118658180
N-(9-ethylcarbazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 10267869
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
(E)-4-[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22785050
(E)-3-(9-ethylcarbazol-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 34075573
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide (CID 33248445) is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide is CCn1c2ccccc2c2cc(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)ccc21.
What is the InChIKey of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide?
The InChIKey is HLVHPLZKGVBKKD-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-4-27-19-8-6-5-7-17(19)18-13-16(10-11-20(18)27)24-21(28)12-9-15-14-25(2)23(30)26(3)22(15)29/h5-14H,4H2,1-3H3,(H,24,28)/b12-9+.
What are the key properties of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide?
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide has a molecular weight of 402.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide is sourced from PubChem (CID 33248445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).