1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide

C27H28ClN5O2 — CID 67508369

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCCC3C(=O)Nc4ccccc43)CC2)ncc1Cl
InChIInChI=1S/C27H28ClN5O2/c1-17-5-4-11-29-25(17)21-15-24(31-16-22(21)28)33-13-9-18(10-14-33)26(34)30-12-8-20-19-6-2-3-7-23(19)32-27(20)35/h2-7,11,15-16,18,20H,8-10,12-14H2,1H3,(H,30,34)(H,32,35)
InChIKeyCLPWZBZTSOALRY-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.56
Rot. Bonds6

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 67508369) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID67508369
Molecular FormulaC27H28ClN5O2
Molecular Weight490.01 g/mol
Exact Mass489.19
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCCC3C(=O)Nc4ccccc43)CC2)ncc1Cl
InChIInChI=1S/C27H28ClN5O2/c1-17-5-4-11-29-25(17)21-15-24(31-16-22(21)28)33-13-9-18(10-14-33)26(34)30-12-8-20-19-6-2-3-7-23(19)32-27(20)35/h2-7,11,15-16,18,20H,8-10,12-14H2,1H3,(H,30,34)(H,32,35)
InChIKeyCLPWZBZTSOALRY-UHFFFAOYSA-N
XLogP4.56
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide (CID 67508369) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)NCCC3C(=O)Nc4ccccc43)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CLPWZBZTSOALRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c1-17-5-4-11-29-25(17)21-15-24(31-16-22(21)28)33-13-9-18(10-14-33)26(34)30-12-8-20-19-6-2-3-7-23(19)32-27(20)35/h2-7,11,15-16,18,20H,8-10,12-14H2,1H3,(H,30,34)(H,32,35).
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 490.01 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 67508369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).