(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide

C22H26N2O2 — CID 143666412

IUPAC(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide
SMILESC=c1/c(=C\C)c(=O)c(C(=O)NCC(C)C)cn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C22H26N2O2/c1-5-19-15(4)24(18-10-9-16-7-6-8-17(16)11-18)13-20(21(19)25)22(26)23-12-14(2)3/h5,9-11,13-14H,4,6-8,12H2,1-3H3,(H,23,26)/b19-5+
InChIKeyHPXHSWYABGOQTQ-PTXOJBNSSA-N
MW350.46 g/mol
LogP1.92
Rot. Bonds4

About (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide

(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide (PubChem CID 143666412) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide
PubChem CID143666412
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide
SMILESC=c1/c(=C\C)c(=O)c(C(=O)NCC(C)C)cn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C22H26N2O2/c1-5-19-15(4)24(18-10-9-16-7-6-8-17(16)11-18)13-20(21(19)25)22(26)23-12-14(2)3/h5,9-11,13-14H,4,6-8,12H2,1-3H3,(H,23,26)/b19-5+
InChIKeyHPXHSWYABGOQTQ-PTXOJBNSSA-N
XLogP1.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-5-butanoyl-1-(2,3-dihydro-1H-inden-5-yl)-3-ethylidene-2-methylidenepyridin-4-one
CID 143666431
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane
CID 143666471
1-(2,3-dihydro-1H-inden-5-yl)-6-oxopyridine-3-carboxamide
CID 45086937
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86620190
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 76953006
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
CID 107833491
N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512550
1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea
CID 163760094

Frequently Asked Questions

What is the IUPAC name of (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide (CID 143666412) is (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide is C=c1/c(=C\C)c(=O)c(C(=O)NCC(C)C)cn1-c1ccc2c(c1)CCC2.
What is the InChIKey of (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
The InChIKey is HPXHSWYABGOQTQ-PTXOJBNSSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-19-15(4)24(18-10-9-16-7-6-8-17(16)11-18)13-20(21(19)25)22(26)23-12-14(2)3/h5,9-11,13-14H,4,6-8,12H2,1-3H3,(H,23,26)/b19-5+.
What are the key properties of (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 143666412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).