N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide

C23H23ClN4O2 — CID 55815418

IUPACN-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)Cc2ccc(-n3cccc3)cc2)C1
InChIInChI=1S/C23H23ClN4O2/c24-19-7-10-21(25-15-19)26-23(30)18-4-3-13-28(16-18)22(29)14-17-5-8-20(9-6-17)27-11-1-2-12-27/h1-2,5-12,15,18H,3-4,13-14,16H2,(H,25,26,30)
InChIKeyXBYUEBASGZZMLE-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.95
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 55815418) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
PubChem CID55815418
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)Cc2ccc(-n3cccc3)cc2)C1
InChIInChI=1S/C23H23ClN4O2/c24-19-7-10-21(25-15-19)26-23(30)18-4-3-13-28(16-18)22(29)14-17-5-8-20(9-6-17)27-11-1-2-12-27/h1-2,5-12,15,18H,3-4,13-14,16H2,(H,25,26,30)
InChIKeyXBYUEBASGZZMLE-UHFFFAOYSA-N
XLogP3.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 55993702
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119856489
N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 55931379
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide (CID 55815418) is N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)Cc2ccc(-n3cccc3)cc2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is XBYUEBASGZZMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-19-7-10-21(25-15-19)26-23(30)18-4-3-13-28(16-18)22(29)14-17-5-8-20(9-6-17)27-11-1-2-12-27/h1-2,5-12,15,18H,3-4,13-14,16H2,(H,25,26,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55815418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).