N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide

C17H18N4O2 — CID 60598282

IUPACN-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCn1ccccc1=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H18N4O2/c22-15-9-3-5-11-21(15)12-6-4-10-18-17(23)16-13-7-1-2-8-14(13)19-20-16/h1-3,5,7-9,11H,4,6,10,12H2,(H,18,23)(H,19,20)
InChIKeyDOHDIHGTVAQHDO-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds6

About N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide

N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide (PubChem CID 60598282) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
PubChem CID60598282
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCCn1ccccc1=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H18N4O2/c22-15-9-3-5-11-21(15)12-6-4-10-18-17(23)16-13-7-1-2-8-14(13)19-20-16/h1-3,5,7-9,11H,4,6,10,12H2,(H,18,23)(H,19,20)
InChIKeyDOHDIHGTVAQHDO-UHFFFAOYSA-N
XLogP1.93
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[2-(1-methylimidazol-2-yl)ethyl]-1H-indazole-3-carboxamide
CID 62040532
N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
CID 38464745
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 51134974
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 56787757

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide (CID 60598282) is N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide is O=C(NCCCCn1ccccc1=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide?
The InChIKey is DOHDIHGTVAQHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-15-9-3-5-11-21(15)12-6-4-10-18-17(23)16-13-7-1-2-8-14(13)19-20-16/h1-3,5,7-9,11H,4,6,10,12H2,(H,18,23)(H,19,20).
What are the key properties of N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide?
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 60598282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).