N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide

C23H34N4O — CID 141463744

IUPACN-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(N2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H34N4O/c1-14(2)19-13-20(27-6-4-3-5-7-27)25-26-22(19)23(28)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h13-18,21H,3-12H2,1-2H3,(H,24,28)
InChIKeyNBFCZTZPBAPMQR-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.14
Rot. Bonds4

About N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide

N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463744) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463744
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(N2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H34N4O/c1-14(2)19-13-20(27-6-4-3-5-7-27)25-26-22(19)23(28)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h13-18,21H,3-12H2,1-2H3,(H,24,28)
InChIKeyNBFCZTZPBAPMQR-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide (CID 141463744) is N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(N2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is NBFCZTZPBAPMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-14(2)19-13-20(27-6-4-3-5-7-27)25-26-22(19)23(28)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h13-18,21H,3-12H2,1-2H3,(H,24,28).
What are the key properties of N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).