4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

C28H30N4O3 — CID 58674571

IUPAC4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Oc2cccc(/C=C/C(=O)Nc3ccc4c(c3)CCC4)c2)ccn1
InChIInChI=1S/C28H30N4O3/c1-32(2)16-15-30-28(34)26-19-25(13-14-29-26)35-24-8-3-5-20(17-24)9-12-27(33)31-23-11-10-21-6-4-7-22(21)18-23/h3,5,8-14,17-19H,4,6-7,15-16H2,1-2H3,(H,30,34)(H,31,33)/b12-9+
InChIKeyNOIKRIFCUIZEPE-FMIVXFBMSA-N
MW470.57 g/mol
LogP4.31
Rot. Bonds9

About 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 58674571) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
PubChem CID58674571
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Oc2cccc(/C=C/C(=O)Nc3ccc4c(c3)CCC4)c2)ccn1
InChIInChI=1S/C28H30N4O3/c1-32(2)16-15-30-28(34)26-19-25(13-14-29-26)35-24-8-3-5-20(17-24)9-12-27(33)31-23-11-10-21-6-4-7-22(21)18-23/h3,5,8-14,17-19H,4,6-7,15-16H2,1-2H3,(H,30,34)(H,31,33)/b12-9+
InChIKeyNOIKRIFCUIZEPE-FMIVXFBMSA-N
XLogP4.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 68685031
4-[3-[(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]-N-(3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 143262892
N-methyl-4-[4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenoxy]pyridine-2-carboxamide
CID 130248768
4-[3-[(E)-3-[3-(2-aminoethyl)-5-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11720013
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-[3-[(2-carbamimidoyl-4-pyridinyl)oxy]phenyl]prop-2-enamide
CID 73061209
3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)prop-2-enamide
CID 68682990
(E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide
CID 11584315
(E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 58674534
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 68686739
(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
4-[[3-[3-[4-[3-(dimethylamino)prop-1-ynyl]-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91253174

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (CID 58674571) is 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(Oc2cccc(/C=C/C(=O)Nc3ccc4c(c3)CCC4)c2)ccn1.
What is the InChIKey of 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is NOIKRIFCUIZEPE-FMIVXFBMSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-32(2)16-15-30-28(34)26-19-25(13-14-29-26)35-24-8-3-5-20(17-24)9-12-27(33)31-23-11-10-21-6-4-7-22(21)18-23/h3,5,8-14,17-19H,4,6-7,15-16H2,1-2H3,(H,30,34)(H,31,33)/b12-9+.
What are the key properties of 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 58674571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).