1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide

C26H32N4O3 — CID 161110422

IUPAC1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCNCC2)cn(Cc2cccc3[nH]ccc23)c1=O
InChIInChI=1S/C26H32N4O3/c1-27-25(32)22-15-20(24(31)8-3-2-5-18-9-12-28-13-10-18)17-30(26(22)33)16-19-6-4-7-23-21(19)11-14-29-23/h4,6-7,11,14-15,17-18,28-29H,2-3,5,8-10,12-13,16H2,1H3,(H,27,32)
InChIKeyUJPSMXIKKRXDFQ-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.48
Rot. Bonds9

About 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide

1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide (PubChem CID 161110422) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
PubChem CID161110422
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCNCC2)cn(Cc2cccc3[nH]ccc23)c1=O
InChIInChI=1S/C26H32N4O3/c1-27-25(32)22-15-20(24(31)8-3-2-5-18-9-12-28-13-10-18)17-30(26(22)33)16-19-6-4-7-23-21(19)11-14-29-23/h4,6-7,11,14-15,17-18,28-29H,2-3,5,8-10,12-13,16H2,1H3,(H,27,32)
InChIKeyUJPSMXIKKRXDFQ-UHFFFAOYSA-N
XLogP3.48
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 162227887
5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide;5-[2-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 161227412
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676411
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 171638843
5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 160951853
2-[(1S,5R)-6-[[1-(1H-indol-4-ylmethyl)-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethylcarbamic acid
CID 135341762
tert-butyl 4-[5-[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-5-oxopentyl]piperidine-1-carboxylate
CID 146732787
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160649778
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 158670228
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
The IUPAC name of 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide (CID 161110422) is 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCCC2CCNCC2)cn(Cc2cccc3[nH]ccc23)c1=O.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
The InChIKey is UJPSMXIKKRXDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-27-25(32)22-15-20(24(31)8-3-2-5-18-9-12-28-13-10-18)17-30(26(22)33)16-19-6-4-7-23-21(19)11-14-29-23/h4,6-7,11,14-15,17-18,28-29H,2-3,5,8-10,12-13,16H2,1H3,(H,27,32).
What are the key properties of 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide is sourced from PubChem (CID 161110422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).