N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide

C24H26N4O3 — CID 136648481

IUPACN-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=NO)o1
InChIInChI=1S/C24H26N4O3/c1-27(2)12-13-28(3)24(29)22-15-20(16-8-10-25-11-9-16)23(31-22)18-4-6-19-17(14-18)5-7-21(19)26-30/h4,6,8-11,14-15,30H,5,7,12-13H2,1-3H3
InChIKeyBXCHSDUASDOWDH-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide (PubChem CID 136648481) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide
PubChem CID136648481
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=NO)o1
InChIInChI=1S/C24H26N4O3/c1-27(2)12-13-28(3)24(29)22-15-20(16-8-10-25-11-9-16)23(31-22)18-4-6-19-17(14-18)5-7-21(19)26-30/h4,6,8-11,14-15,30H,5,7,12-13H2,1-3H3
InChIKeyBXCHSDUASDOWDH-UHFFFAOYSA-N
XLogP3.77
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide
CID 91489847
N-[5-[5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136647659
2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 135581546
N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methyl-4-pyridinyl)furan-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136618073
N'-hydroxy-2-[3-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-yl]piperidin-1-yl]ethanimidamide
CID 136635970
(NE)-N-[5-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135466457
2-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl-methylamino]isoindole-1,3-dione
CID 135156663
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 69314809
N-[5-[1-[5-(aminomethyl)-2-pyridinyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 72983699
(E)-N-methoxy-5-[5-(4-methoxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
CID 87832638
4,5-bis(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 155202227
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]methyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-yl-1H-imidazole-2-carboxamide
CID 135452972

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide (CID 136648481) is N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide is CN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=NO)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is BXCHSDUASDOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27(2)12-13-28(3)24(29)22-15-20(16-8-10-25-11-9-16)23(31-22)18-4-6-19-17(14-18)5-7-21(19)26-30/h4,6,8-11,14-15,30H,5,7,12-13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(1-hydroxyimino-2,3-dihydroinden-5-yl)-N-methyl-4-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 136648481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).