N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride

C23H28ClN5O2 — CID 45261455

IUPACN-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(N2CCCC2)CC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C23H27N5O2.ClH/c29-21(15-27-11-7-17(8-12-27)28-9-3-4-10-28)25-16-13-20-22(24-14-16)18-5-1-2-6-19(18)23(30)26-20;/h1-2,5-6,13-14,17H,3-4,7-12,15H2,(H,25,29)(H,26,30);1H
InChIKeySWJMFCKZWADRBD-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.00
Rot. Bonds4

About N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride

N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride (PubChem CID 45261455) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride
PubChem CID45261455
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC NameN-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(N2CCCC2)CC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C23H27N5O2.ClH/c29-21(15-27-11-7-17(8-12-27)28-9-3-4-10-28)25-16-13-20-22(24-14-16)18-5-1-2-6-19(18)23(30)26-20;/h1-2,5-6,13-14,17H,3-4,7-12,15H2,(H,25,29)(H,26,30);1H
InChIKeySWJMFCKZWADRBD-UHFFFAOYSA-N
XLogP3.00
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.00
H-Bond Donors ≤ 52
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-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride (CID 45261455) is N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCC(N2CCCC2)CC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc12.
What is the InChIKey of N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride?
The InChIKey is SWJMFCKZWADRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.ClH/c29-21(15-27-11-7-17(8-12-27)28-9-3-4-10-28)25-16-13-20-22(24-14-16)18-5-1-2-6-19(18)23(30)26-20;/h1-2,5-6,13-14,17H,3-4,7-12,15H2,(H,25,29)(H,26,30);1H.
What are the key properties of N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride?
N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride has a molecular weight of 441.96 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 45261455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).