N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

C23H24N4O3 — CID 66780749

IUPACN-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(C(=O)C=Cc1cnc2c(c1)CCC(=O)N2)C(CCO)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4O3/c1-27(20(10-11-28)18-14-24-19-5-3-2-4-17(18)19)22(30)9-6-15-12-16-7-8-21(29)26-23(16)25-13-15/h2-6,9,12-14,20,24,28H,7-8,10-11H2,1H3,(H,25,26,29)
InChIKeyVFBHTQPBSRESPN-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.04
Rot. Bonds6

About N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (PubChem CID 66780749) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
PubChem CID66780749
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(C(=O)C=Cc1cnc2c(c1)CCC(=O)N2)C(CCO)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4O3/c1-27(20(10-11-28)18-14-24-19-5-3-2-4-17(18)19)22(30)9-6-15-12-16-7-8-21(29)26-23(16)25-13-15/h2-6,9,12-14,20,24,28H,7-8,10-11H2,1H3,(H,25,26,29)
InChIKeyVFBHTQPBSRESPN-UHFFFAOYSA-N
XLogP3.04
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
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-methyl-N-[1-(4-methyl-1H-indol-3-yl)ethyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 22139139
3-[6-(benzhydrylideneamino)-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl]-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
CID 90873299
N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66967113
N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(3-propan-2-yl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 66967669
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;propane
CID 164917787
(E)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10474956
(E)-N-[(2-chloro-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10070056
N-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 69183931
N-methyl-N-[(3-methyl-1H-inden-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66780186
N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;2,2,2-trifluoroacetic acid
CID 66780920
(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10343753
(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
CID 22593705

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The IUPAC name of N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (CID 66780749) is N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is CN(C(=O)C=Cc1cnc2c(c1)CCC(=O)N2)C(CCO)c1c[nH]c2ccccc12.
What is the InChIKey of N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The InChIKey is VFBHTQPBSRESPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27(20(10-11-28)18-14-24-19-5-3-2-4-17(18)19)22(30)9-6-15-12-16-7-8-21(29)26-23(16)25-13-15/h2-6,9,12-14,20,24,28H,7-8,10-11H2,1H3,(H,25,26,29).
What are the key properties of N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide has a molecular weight of 404.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(1H-indol-3-yl)propyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 66780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).