N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide

C24H29N5O2 — CID 135373155

IUPACN-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
SMILESCONC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1
InChIInChI=1S/C24H29N5O2/c1-31-28-24(30)19-8-6-18(7-9-19)22-16-23(20-17-25-12-10-21(20)27-22)26-11-5-15-29-13-3-2-4-14-29/h6-10,12,16-17H,2-5,11,13-15H2,1H3,(H,26,27)(H,28,30)
InChIKeyYEQCOWFFJVORMH-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.88
Rot. Bonds8

About N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide

N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide (PubChem CID 135373155) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
PubChem CID135373155
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
SMILESCONC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1
InChIInChI=1S/C24H29N5O2/c1-31-28-24(30)19-8-6-18(7-9-19)22-16-23(20-17-25-12-10-21(20)27-22)26-11-5-15-29-13-3-2-4-14-29/h6-10,12,16-17H,2-5,11,13-15H2,1H3,(H,26,27)(H,28,30)
InChIKeyYEQCOWFFJVORMH-UHFFFAOYSA-N
XLogP3.88
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide?
The IUPAC name of N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide (CID 135373155) is N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide.
What is the SMILES notation for N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide?
The canonical SMILES for N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide is CONC(=O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1.
What is the InChIKey of N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide?
The InChIKey is YEQCOWFFJVORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-28-24(30)19-8-6-18(7-9-19)22-16-23(20-17-25-12-10-21(20)27-22)26-11-5-15-29-13-3-2-4-14-29/h6-10,12,16-17H,2-5,11,13-15H2,1H3,(H,26,27)(H,28,30).
What are the key properties of N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide?
N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide is sourced from PubChem (CID 135373155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).