1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

C26H32N4O — CID 46333856

IUPAC1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(C)n1-c1cccnc1N1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O/c1-20-12-13-21(2)30(20)24-11-7-16-27-25(24)29-18-14-23(15-19-29)26(31)28-17-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-13,16,23H,6,10,14-15,17-19H2,1-2H3,(H,28,31)
InChIKeyDXZIKCXHOVSOMB-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.45
Rot. Bonds7

About 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 46333856) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID46333856
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(C)n1-c1cccnc1N1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O/c1-20-12-13-21(2)30(20)24-11-7-16-27-25(24)29-18-14-23(15-19-29)26(31)28-17-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-13,16,23H,6,10,14-15,17-19H2,1-2H3,(H,28,31)
InChIKeyDXZIKCXHOVSOMB-UHFFFAOYSA-N
XLogP4.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20889478
N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide
CID 53129966
N-cyclopentyl-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333849
N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333861
N-(3,5-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333866
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-(3-methoxypropyl)-1-(3-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46333914
N-(3-phenylpropyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952026
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 46333852
N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 123200584
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 46333856) is 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is DXZIKCXHOVSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-20-12-13-21(2)30(20)24-11-7-16-27-25(24)29-18-14-23(15-19-29)26(31)28-17-6-10-22-8-4-3-5-9-22/h3-5,7-9,11-13,16,23H,6,10,14-15,17-19H2,1-2H3,(H,28,31).
What are the key properties of 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46333856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).