N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide

C23H25ClN4O2 — CID 86889517

IUPACN-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-14-21(18-5-3-4-6-19(18)26-14)22(29)15(2)28-11-9-16(10-12-28)23(30)27-20-8-7-17(24)13-25-20/h3-8,13,15-16,26H,9-12H2,1-2H3,(H,25,27,30)
InChIKeyMDJISZPTRMFJHL-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.45
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 86889517) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID86889517
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-14-21(18-5-3-4-6-19(18)26-14)22(29)15(2)28-11-9-16(10-12-28)23(30)27-20-8-7-17(24)13-25-20/h3-8,13,15-16,26H,9-12H2,1-2H3,(H,25,27,30)
InChIKeyMDJISZPTRMFJHL-UHFFFAOYSA-N
XLogP4.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 18086318
N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide
CID 87021618
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120
3-amino-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride
CID 161193935
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862
N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
CID 20619862
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 86889517) is N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide is Cc1[nH]c2ccccc2c1C(=O)C(C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is MDJISZPTRMFJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-14-21(18-5-3-4-6-19(18)26-14)22(29)15(2)28-11-9-16(10-12-28)23(30)27-20-8-7-17(24)13-25-20/h3-8,13,15-16,26H,9-12H2,1-2H3,(H,25,27,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.45, 5 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-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 86889517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).