N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide

C14H16N4O — CID 114693720

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCC1=CCNCC1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N4O/c19-14(16-8-10-3-5-15-6-4-10)11-1-2-12-9-17-18-13(12)7-11/h1-3,7,9,15H,4-6,8H2,(H,16,19)(H,17,18)
InChIKeyRGCZQIMXVDUMMD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.21
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide (PubChem CID 114693720) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
PubChem CID114693720
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCC1=CCNCC1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N4O/c19-14(16-8-10-3-5-15-6-4-10)11-1-2-12-9-17-18-13(12)7-11/h1-3,7,9,15H,4-6,8H2,(H,16,19)(H,17,18)
InChIKeyRGCZQIMXVDUMMD-UHFFFAOYSA-N
XLogP1.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-1H-indazole-6-carboxamide
CID 62062398
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107672292
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 102922374
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
3-chloro-4-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954986
3-bromo-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954975
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 63379684
N-(2-piperidin-4-yloxyethyl)-1H-indazole-6-carboxamide
CID 63871270
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide (CID 114693720) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide is O=C(NCC1=CCNCC1)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide?
The InChIKey is RGCZQIMXVDUMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(16-8-10-3-5-15-6-4-10)11-1-2-12-9-17-18-13(12)7-11/h1-3,7,9,15H,4-6,8H2,(H,16,19)(H,17,18).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 114693720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).