N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide

C23H19ClN4O2 — CID 174591274

IUPACN-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
SMILESCn1c(=O)c(-c2cc(NC(=O)c3ccccc3)ccc2CN)cc2cnc(Cl)cc21
InChIInChI=1S/C23H19ClN4O2/c1-28-20-11-21(24)26-13-16(20)9-19(23(28)30)18-10-17(8-7-15(18)12-25)27-22(29)14-5-3-2-4-6-14/h2-11,13H,12,25H2,1H3,(H,27,29)
InChIKeyUVFJNIANYFHZNI-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.96
Rot. Bonds4

About N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide

N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide (PubChem CID 174591274) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
PubChem CID174591274
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
SMILESCn1c(=O)c(-c2cc(NC(=O)c3ccccc3)ccc2CN)cc2cnc(Cl)cc21
InChIInChI=1S/C23H19ClN4O2/c1-28-20-11-21(24)26-13-16(20)9-19(23(28)30)18-10-17(8-7-15(18)12-25)27-22(29)14-5-3-2-4-6-14/h2-11,13H,12,25H2,1H3,(H,27,29)
InChIKeyUVFJNIANYFHZNI-UHFFFAOYSA-N
XLogP3.96
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
The IUPAC name of N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide (CID 174591274) is N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide is Cn1c(=O)c(-c2cc(NC(=O)c3ccccc3)ccc2CN)cc2cnc(Cl)cc21.
What is the InChIKey of N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
The InChIKey is UVFJNIANYFHZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-28-20-11-21(24)26-13-16(20)9-19(23(28)30)18-10-17(8-7-15(18)12-25)27-22(29)14-5-3-2-4-6-14/h2-11,13H,12,25H2,1H3,(H,27,29).
What are the key properties of N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 174591274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).