N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide

C23H24N4O3 — CID 91391208

IUPACN-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)o1
InChIInChI=1S/C23H24N4O3/c1-27(2)12-11-25-23(28)21-14-19(22(30-21)15-7-9-24-10-8-15)17-3-5-18-16(13-17)4-6-20(18)26-29/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3,(H,25,28)
InChIKeyTWWYSBDKJOLFJP-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.05
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 91391208) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID91391208
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)o1
InChIInChI=1S/C23H24N4O3/c1-27(2)12-11-25-23(28)21-14-19(22(30-21)15-7-9-24-10-8-15)17-3-5-18-16(13-17)4-6-20(18)26-29/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3,(H,25,28)
InChIKeyTWWYSBDKJOLFJP-UHFFFAOYSA-N
XLogP4.05
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide (CID 91391208) is N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is TWWYSBDKJOLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27(2)12-11-25-23(28)21-14-19(22(30-21)15-7-9-24-10-8-15)17-3-5-18-16(13-17)4-6-20(18)26-29/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 91391208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).