1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide

C25H31N5O3 — CID 67609554

IUPAC1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
SMILESCN(C)CC(=O)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)N(C)C)ccc43)nc2)CC1
InChIInChI=1S/C25H31N5O3/c1-27(2)17-24(31)29-12-10-20(11-13-29)33-21-6-8-23(26-16-21)30-14-9-18-15-19(5-7-22(18)30)25(32)28(3)4/h5-9,14-16,20H,10-13,17H2,1-4H3
InChIKeyQYZQOMIZWPCVMJ-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.66
Rot. Bonds6

About 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide

1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide (PubChem CID 67609554) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide.

Molecular Properties

Compound Name1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
PubChem CID67609554
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
SMILESCN(C)CC(=O)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)N(C)C)ccc43)nc2)CC1
InChIInChI=1S/C25H31N5O3/c1-27(2)17-24(31)29-12-10-20(11-13-29)33-21-6-8-23(26-16-21)30-14-9-18-15-19(5-7-22(18)30)25(32)28(3)4/h5-9,14-16,20H,10-13,17H2,1-4H3
InChIKeyQYZQOMIZWPCVMJ-UHFFFAOYSA-N
XLogP2.66
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
The IUPAC name of 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide (CID 67609554) is 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide.
What is the SMILES notation for 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
The canonical SMILES for 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide is CN(C)CC(=O)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)N(C)C)ccc43)nc2)CC1.
What is the InChIKey of 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
The InChIKey is QYZQOMIZWPCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-27(2)17-24(31)29-12-10-20(11-13-29)33-21-6-8-23(26-16-21)30-14-9-18-15-19(5-7-22(18)30)25(32)28(3)4/h5-9,14-16,20H,10-13,17H2,1-4H3.
What are the key properties of 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide?
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide is sourced from PubChem (CID 67609554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).