N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide

C23H27ClN4O2 — CID 56525559

About N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 56525559) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
• PubChem CID: 56525559
• Molecular Formula: C23H27ClN4O2
• Molecular Weight: 426.95 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
• SMILES: O=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C23H27ClN4O2/c24-19-5-7-21(25-15-19)27-23(30)17-8-11-28(12-9-17)13-10-22(29)26-20-6-4-16-2-1-3-18(16)14-20/h4-7,14-15,17H,1-3,8-13H2,(H,26,29)(H,25,27,30)
• InChIKey: ZDGDKCFZFAIONM-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.95
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide (CID 56525559) is N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide is O=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc2c(c1)CCC2.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?

The InChIKey is ZDGDKCFZFAIONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-19-5-7-21(25-15-19)27-23(30)17-8-11-28(12-9-17)13-10-22(29)26-20-6-4-16-2-1-3-18(16)14-20/h4-7,14-15,17H,1-3,8-13H2,(H,26,29)(H,25,27,30).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 56525559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).