4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide

C23H25ClN4O — CID 135371665

IUPAC4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1
InChIInChI=1S/C23H25ClN4O/c24-20-15-22(27-21-9-11-25-16-19(20)21)17-5-7-18(8-6-17)23(29)26-10-4-14-28-12-2-1-3-13-28/h5-9,11,15-16H,1-4,10,12-14H2,(H,26,29)
InChIKeyMPCRBNVWUQHJQI-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.56
Rot. Bonds6

About 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide

4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 135371665) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID135371665
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1
InChIInChI=1S/C23H25ClN4O/c24-20-15-22(27-21-9-11-25-16-19(20)21)17-5-7-18(8-6-17)23(29)26-10-4-14-28-12-2-1-3-13-28/h5-9,11,15-16H,1-4,10,12-14H2,(H,26,29)
InChIKeyMPCRBNVWUQHJQI-UHFFFAOYSA-N
XLogP4.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide (CID 135371665) is 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCCC1)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.
What is the InChIKey of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is MPCRBNVWUQHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c24-20-15-22(27-21-9-11-25-16-19(20)21)17-5-7-18(8-6-17)23(29)26-10-4-14-28-12-2-1-3-13-28/h5-9,11,15-16H,1-4,10,12-14H2,(H,26,29).
What are the key properties of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide?
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 408.93 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 135371665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).