N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide

C30H33N5O4 — CID 90343717

IUPACN-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OC(C)C)cc21
InChIInChI=1S/C30H33N5O4/c1-19(2)38-27-18-25-23(11-15-35(25)30(37)31-3)16-26(27)39-24-10-14-33-28(17-24)34-29(36)22-6-4-20(5-7-22)21-8-12-32-13-9-21/h4-7,10-11,14-19,21,32H,8-9,12-13H2,1-3H3,(H,31,37)(H,33,34,36)
InChIKeyLMTMHIZMYKECLF-UHFFFAOYSA-N
MW527.63 g/mol
LogP5.52
Rot. Bonds7

About N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide

N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide (PubChem CID 90343717) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
PubChem CID90343717
Molecular FormulaC30H33N5O4
Molecular Weight527.63 g/mol
Exact Mass527.25
IUPAC NameN-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OC(C)C)cc21
InChIInChI=1S/C30H33N5O4/c1-19(2)38-27-18-25-23(11-15-35(25)30(37)31-3)16-26(27)39-24-10-14-33-28(17-24)34-29(36)22-6-4-20(5-7-22)21-8-12-32-13-9-21/h4-7,10-11,14-19,21,32H,8-9,12-13H2,1-3H3,(H,31,37)(H,33,34,36)
InChIKeyLMTMHIZMYKECLF-UHFFFAOYSA-N
XLogP5.52
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The IUPAC name of N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide (CID 90343717) is N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The canonical SMILES for N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OC(C)C)cc21.
What is the InChIKey of N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The InChIKey is LMTMHIZMYKECLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-19(2)38-27-18-25-23(11-15-35(25)30(37)31-3)16-26(27)39-24-10-14-33-28(17-24)34-29(36)22-6-4-20(5-7-22)21-8-12-32-13-9-21/h4-7,10-11,14-19,21,32H,8-9,12-13H2,1-3H3,(H,31,37)(H,33,34,36).
What are the key properties of N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide is sourced from PubChem (CID 90343717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).