N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide

C18H23N5O3 — CID 10155272

IUPACN-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2n[nH]c3c2C(=O)CCC3)cn1
InChIInChI=1S/C18H23N5O3/c1-23(2)9-4-10-26-15-8-7-12(11-19-15)20-18(25)17-16-13(21-22-17)5-3-6-14(16)24/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyCQSMDOHNGHJXHE-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.91
Rot. Bonds7

About N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide

N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 10155272) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID10155272
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2n[nH]c3c2C(=O)CCC3)cn1
InChIInChI=1S/C18H23N5O3/c1-23(2)9-4-10-26-15-8-7-12(11-19-15)20-18(25)17-16-13(21-22-17)5-3-6-14(16)24/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyCQSMDOHNGHJXHE-UHFFFAOYSA-N
XLogP1.91
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindazole-3-carbonyl)amino]phenyl]ethyl]carbamate
CID 15453929
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75502190
4-methoxyimino-N-[4-[2-(propylamino)ethoxy]phenyl]-1,5,6,7-tetrahydroindazole-3-carboxamide
CID 158879158
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-4-methoxyimino-1,5,6,7-tetrahydroindazole-3-carboxamide
CID 140523209
N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55955402
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747377
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 99621153
1,1-dimethyl-3-[6-(3-phenylpropoxy)-3-pyridinyl]urea
CID 13023118

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide (CID 10155272) is N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide is CN(C)CCCOc1ccc(NC(=O)c2n[nH]c3c2C(=O)CCC3)cn1.
What is the InChIKey of N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is CQSMDOHNGHJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-23(2)9-4-10-26-15-8-7-12(11-19-15)20-18(25)17-16-13(21-22-17)5-3-6-14(16)24/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide?
N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 10155272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).