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

C23H27ClN4O2 — CID 56525559

IUPACN-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=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)
InChIKeyZDGDKCFZFAIONM-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.90
Rot. Bonds6

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 NameN-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID56525559
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=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)
InChIKeyZDGDKCFZFAIONM-UHFFFAOYSA-N
XLogP3.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).