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N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C16H24N8O — CID 167851507

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3nnnn3C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C16H24N8O/c1-11-10-13(24(19-11)16(2,3)4)17-15(25)23-8-6-12(7-9-23)14-18-20-21-22(14)5/h6,10H,7-9H2,1-5H3,(H,17,25)
InChIKeyZHSUFBLUYLXTPC-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.79
Rot. Bonds2

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 167851507) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID167851507
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3nnnn3C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C16H24N8O/c1-11-10-13(24(19-11)16(2,3)4)17-15(25)23-8-6-12(7-9-23)14-18-20-21-22(14)5/h6,10H,7-9H2,1-5H3,(H,17,25)
InChIKeyZHSUFBLUYLXTPC-UHFFFAOYSA-N
XLogP1.79
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 167851507) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cc(NC(=O)N2CC=C(c3nnnn3C)CC2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ZHSUFBLUYLXTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O/c1-11-10-13(24(19-11)16(2,3)4)17-15(25)23-8-6-12(7-9-23)14-18-20-21-22(14)5/h6,10H,7-9H2,1-5H3,(H,17,25).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 167851507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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