N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide

C29H28ClN5O — CID 90413193

IUPACN-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)N(Cc2ccc4ncccc4c2)CC3)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C29H28ClN5O/c30-25-17-33-28(34-29(36)23-4-1-10-31-16-23)15-24(25)21-7-6-20-9-12-35(27(20)14-21)18-19-5-8-26-22(13-19)3-2-11-32-26/h2-3,5-8,11,13-15,17,23,31H,1,4,9-10,12,16,18H2,(H,33,34,36)
InChIKeyYBRSKELNROAZIJ-UHFFFAOYSA-N
MW498.03 g/mol
LogP5.45
Rot. Bonds5

About N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90413193) has the molecular formula C29H28ClN5O and a molecular weight of 498.03 g/mol. Its IUPAC name is N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90413193
Molecular FormulaC29H28ClN5O
Molecular Weight498.03 g/mol
Exact Mass497.20
IUPAC NameN-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)N(Cc2ccc4ncccc4c2)CC3)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C29H28ClN5O/c30-25-17-33-28(34-29(36)23-4-1-10-31-16-23)15-24(25)21-7-6-20-9-12-35(27(20)14-21)18-19-5-8-26-22(13-19)3-2-11-32-26/h2-3,5-8,11,13-15,17,23,31H,1,4,9-10,12,16,18H2,(H,33,34,36)
InChIKeyYBRSKELNROAZIJ-UHFFFAOYSA-N
XLogP5.45
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90413193) is N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3c(c2)N(Cc2ccc4ncccc4c2)CC3)c(Cl)cn1)C1CCCNC1.
What is the InChIKey of N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is YBRSKELNROAZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O/c30-25-17-33-28(34-29(36)23-4-1-10-31-16-23)15-24(25)21-7-6-20-9-12-35(27(20)14-21)18-19-5-8-26-22(13-19)3-2-11-32-26/h2-3,5-8,11,13-15,17,23,31H,1,4,9-10,12,16,18H2,(H,33,34,36).
What are the key properties of N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[1-(quinolin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90413193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).