N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide

C26H19N5O2 — CID 118346192

IUPACN-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1
InChIInChI=1S/C26H19N5O2/c1-2-24(32)30-19-4-3-5-20(13-19)31-25(33)11-8-18-15-28-22-9-6-16(12-21(22)26(18)31)17-7-10-23(27)29-14-17/h2-15H,1H2,(H2,27,29)(H,30,32)
InChIKeyJGLBGBDMKMGQFA-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.31
Rot. Bonds4

About N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide

N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 118346192) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
PubChem CID118346192
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC NameN-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1
InChIInChI=1S/C26H19N5O2/c1-2-24(32)30-19-4-3-5-20(13-19)31-25(33)11-8-18-15-28-22-9-6-16(12-21(22)26(18)31)17-7-10-23(27)29-14-17/h2-15H,1H2,(H2,27,29)(H,30,32)
InChIKeyJGLBGBDMKMGQFA-UHFFFAOYSA-N
XLogP4.31
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide (CID 118346192) is N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1.
What is the InChIKey of N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
The InChIKey is JGLBGBDMKMGQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c1-2-24(32)30-19-4-3-5-20(13-19)31-25(33)11-8-18-15-28-22-9-6-16(12-21(22)26(18)31)17-7-10-23(27)29-14-17/h2-15H,1H2,(H2,27,29)(H,30,32).
What are the key properties of N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 433.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[9-(6-amino-3-pyridinyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 118346192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).