(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide

C22H22N4O — CID 58223153

IUPAC(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
SMILESCc1cn(-c2ccc(/C=C/C(=O)NC3CCc4ccccc43)nc2C)cn1
InChIInChI=1S/C22H22N4O/c1-15-13-26(14-23-15)21-11-8-18(24-16(21)2)9-12-22(27)25-20-10-7-17-5-3-4-6-19(17)20/h3-6,8-9,11-14,20H,7,10H2,1-2H3,(H,25,27)/b12-9+
InChIKeyDSRWMVCAFSDHDQ-FMIVXFBMSA-N
MW358.45 g/mol
LogP3.70
Rot. Bonds4

About (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide

(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide (PubChem CID 58223153) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
PubChem CID58223153
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
SMILESCc1cn(-c2ccc(/C=C/C(=O)NC3CCc4ccccc43)nc2C)cn1
InChIInChI=1S/C22H22N4O/c1-15-13-26(14-23-15)21-11-8-18(24-16(21)2)9-12-22(27)25-20-10-7-17-5-3-4-6-19(17)20/h3-6,8-9,11-14,20H,7,10H2,1-2H3,(H,25,27)/b12-9+
InChIKeyDSRWMVCAFSDHDQ-FMIVXFBMSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methylimidazol-1-yl)-3-propoxyphenyl]prop-2-enamide
CID 88997184
(E)-3-[3-but-2-ynoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 59170730
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[3-fluoro-5-methyl-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 58223127
(E)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-oxo-3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-2-enamide
CID 70908875
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-[4-(fluoromethyl)imidazol-1-yl]-3-methoxyphenyl]prop-2-enamide
CID 59170993
(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 8893313
(E)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 59170806
(E)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 59170948
N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 123962202
3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960965
(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
CID 25184480
(E)-3-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enehydrazide
CID 58351054

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide (CID 58223153) is (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide is Cc1cn(-c2ccc(/C=C/C(=O)NC3CCc4ccccc43)nc2C)cn1.
What is the InChIKey of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide?
The InChIKey is DSRWMVCAFSDHDQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-13-26(14-23-15)21-11-8-18(24-16(21)2)9-12-22(27)25-20-10-7-17-5-3-4-6-19(17)20/h3-6,8-9,11-14,20H,7,10H2,1-2H3,(H,25,27)/b12-9+.
What are the key properties of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide?
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide has a molecular weight of 358.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 58223153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).