N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H27N5O — CID 801131

IUPACN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1(C)CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC(C)(C)N1
InChIInChI=1S/C17H27N5O/c1-16(2)9-11(10-17(3,4)22-16)18-21-15(23)14-12-7-5-6-8-13(12)19-20-14/h22H,5-10H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyLPBKUGZKJPAJGY-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.31
Rot. Bonds2

About N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 801131) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID801131
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1(C)CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC(C)(C)N1
InChIInChI=1S/C17H27N5O/c1-16(2)9-11(10-17(3,4)22-16)18-21-15(23)14-12-7-5-6-8-13(12)19-20-14/h22H,5-10H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyLPBKUGZKJPAJGY-UHFFFAOYSA-N
XLogP2.31
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 801131) is N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1(C)CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC(C)(C)N1.
What is the InChIKey of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is LPBKUGZKJPAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-16(2)9-11(10-17(3,4)22-16)18-21-15(23)14-12-7-5-6-8-13(12)19-20-14/h22H,5-10H2,1-4H3,(H,19,20)(H,21,23).
What are the key properties of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 801131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).