N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide

C32H40N6OS — CID 135373064

IUPACN-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCCN1CCC(NC(=O)c2cc3ccc(-c4cc(NCCCN5CCCCC5)c5cnccc5n4)cc3s2)CC1
InChIInChI=1S/C32H40N6OS/c1-2-37-17-10-25(11-18-37)35-32(39)31-20-24-8-7-23(19-30(24)40-31)28-21-29(26-22-33-13-9-27(26)36-28)34-12-6-16-38-14-4-3-5-15-38/h7-9,13,19-22,25H,2-6,10-12,14-18H2,1H3,(H,34,36)(H,35,39)
InChIKeyFDCROYLZVBTPNJ-UHFFFAOYSA-N
MW556.78 g/mol
LogP6.01
Rot. Bonds9

About N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide

N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 135373064) has the molecular formula C32H40N6OS and a molecular weight of 556.78 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID135373064
Molecular FormulaC32H40N6OS
Molecular Weight556.78 g/mol
Exact Mass556.30
IUPAC NameN-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCCN1CCC(NC(=O)c2cc3ccc(-c4cc(NCCCN5CCCCC5)c5cnccc5n4)cc3s2)CC1
InChIInChI=1S/C32H40N6OS/c1-2-37-17-10-25(11-18-37)35-32(39)31-20-24-8-7-23(19-30(24)40-31)28-21-29(26-22-33-13-9-27(26)36-28)34-12-6-16-38-14-4-3-5-15-38/h7-9,13,19-22,25H,2-6,10-12,14-18H2,1H3,(H,34,36)(H,35,39)
InChIKeyFDCROYLZVBTPNJ-UHFFFAOYSA-N
XLogP6.01
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.78
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide (CID 135373064) is N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide is CCN1CCC(NC(=O)c2cc3ccc(-c4cc(NCCCN5CCCCC5)c5cnccc5n4)cc3s2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is FDCROYLZVBTPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6OS/c1-2-37-17-10-25(11-18-37)35-32(39)31-20-24-8-7-23(19-30(24)40-31)28-21-29(26-22-33-13-9-27(26)36-28)34-12-6-16-38-14-4-3-5-15-38/h7-9,13,19-22,25H,2-6,10-12,14-18H2,1H3,(H,34,36)(H,35,39).
What are the key properties of N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide?
N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 556.78 g/mol, XLogP of 6.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 135373064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).