N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide

C25H30N6O3 — CID 10434497

IUPACN-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCC(N5CCCC5)CC4)c3)ccc21
InChIInChI=1S/C25H30N6O3/c1-26-24(32)31-15-7-18-16-20(4-5-22(18)31)34-21-6-10-27-23(17-21)28-25(33)30-13-8-19(9-14-30)29-11-2-3-12-29/h4-7,10,15-17,19H,2-3,8-9,11-14H2,1H3,(H,26,32)(H,27,28,33)
InChIKeyDPIYLEXPUMZUPH-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.11
Rot. Bonds4

About N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide

N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 10434497) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID10434497
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCC(N5CCCC5)CC4)c3)ccc21
InChIInChI=1S/C25H30N6O3/c1-26-24(32)31-15-7-18-16-20(4-5-22(18)31)34-21-6-10-27-23(17-21)28-25(33)30-13-8-19(9-14-30)29-11-2-3-12-29/h4-7,10,15-17,19H,2-3,8-9,11-14H2,1H3,(H,26,32)(H,27,28,33)
InChIKeyDPIYLEXPUMZUPH-UHFFFAOYSA-N
XLogP4.11
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (CID 10434497) is N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCC(N5CCCC5)CC4)c3)ccc21.
What is the InChIKey of N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is DPIYLEXPUMZUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-26-24(32)31-15-7-18-16-20(4-5-22(18)31)34-21-6-10-27-23(17-21)28-25(33)30-13-8-19(9-14-30)29-11-2-3-12-29/h4-7,10,15-17,19H,2-3,8-9,11-14H2,1H3,(H,26,32)(H,27,28,33).
What are the key properties of N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 10434497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).