1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide

C31H38N6O2 — CID 135372487

IUPAC1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCOCC2)cc2cc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)ccc21
InChIInChI=1S/C31H38N6O2/c1-36-29-7-6-22(18-23(29)19-30(36)31(38)34-24-9-16-39-17-10-24)27-20-28(25-21-32-12-8-26(25)35-27)33-11-5-15-37-13-3-2-4-14-37/h6-8,12,18-21,24H,2-5,9-11,13-17H2,1H3,(H,33,35)(H,34,38)
InChIKeyZYDWFOFVDLWIHY-UHFFFAOYSA-N
MW526.69 g/mol
LogP4.99
Rot. Bonds8

About 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide

1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide (PubChem CID 135372487) has the molecular formula C31H38N6O2 and a molecular weight of 526.69 g/mol. Its IUPAC name is 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide
PubChem CID135372487
Molecular FormulaC31H38N6O2
Molecular Weight526.69 g/mol
Exact Mass526.31
IUPAC Name1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCOCC2)cc2cc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)ccc21
InChIInChI=1S/C31H38N6O2/c1-36-29-7-6-22(18-23(29)19-30(36)31(38)34-24-9-16-39-17-10-24)27-20-28(25-21-32-12-8-26(25)35-27)33-11-5-15-37-13-3-2-4-14-37/h6-8,12,18-21,24H,2-5,9-11,13-17H2,1H3,(H,33,35)(H,34,38)
InChIKeyZYDWFOFVDLWIHY-UHFFFAOYSA-N
XLogP4.99
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.69
LogP ≤ 54.99
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 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide (CID 135372487) is 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide is Cn1c(C(=O)NC2CCOCC2)cc2cc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)ccc21.
What is the InChIKey of 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide?
The InChIKey is ZYDWFOFVDLWIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O2/c1-36-29-7-6-22(18-23(29)19-30(36)31(38)34-24-9-16-39-17-10-24)27-20-28(25-21-32-12-8-26(25)35-27)33-11-5-15-37-13-3-2-4-14-37/h6-8,12,18-21,24H,2-5,9-11,13-17H2,1H3,(H,33,35)(H,34,38).
What are the key properties of 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide?
1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide has a molecular weight of 526.69 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide is sourced from PubChem (CID 135372487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).