N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide

C24H17N5O2 — CID 58168083

IUPACN-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1
InChIInChI=1S/C24H17N5O2/c30-23(15-6-2-1-3-7-15)27-16-10-11-20(26-14-16)28-19-12-13-25-22-21(19)17-8-4-5-9-18(17)24(31)29-22/h1-14H,(H,27,30)(H2,25,26,28,29,31)
InChIKeyRESQIOFIUHXDCZ-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.47
Rot. Bonds4

About N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide

N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide (PubChem CID 58168083) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide
PubChem CID58168083
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC NameN-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1
InChIInChI=1S/C24H17N5O2/c30-23(15-6-2-1-3-7-15)27-16-10-11-20(26-14-16)28-19-12-13-25-22-21(19)17-8-4-5-9-18(17)24(31)29-22/h1-14H,(H,27,30)(H2,25,26,28,29,31)
InChIKeyRESQIOFIUHXDCZ-UHFFFAOYSA-N
XLogP4.47
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide (CID 58168083) is N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1.
What is the InChIKey of N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide?
The InChIKey is RESQIOFIUHXDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c30-23(15-6-2-1-3-7-15)27-16-10-11-20(26-14-16)28-19-12-13-25-22-21(19)17-8-4-5-9-18(17)24(31)29-22/h1-14H,(H,27,30)(H2,25,26,28,29,31).
What are the key properties of N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide?
N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide has a molecular weight of 407.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 58168083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).