N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide

C23H37N5O2 — CID 170077966

IUPACN-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCCC/C=C\c1c(NC)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O
InChIInChI=1S/C23H37N5O2/c1-5-6-7-10-19-22(24-4)21(16(2)3)26-28(23(19)30)15-20(29)25-17-9-8-13-27(14-17)18-11-12-18/h7,10,16-18,24H,5-6,8-9,11-15H2,1-4H3,(H,25,29)/b10-7-
InChIKeyJPIRHULXDLHJMK-YFHOEESVSA-N
MW415.58 g/mol
LogP2.96
Rot. Bonds9

About N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide

N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 170077966) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID170077966
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC NameN-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCCC/C=C\c1c(NC)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O
InChIInChI=1S/C23H37N5O2/c1-5-6-7-10-19-22(24-4)21(16(2)3)26-28(23(19)30)15-20(29)25-17-9-8-13-27(14-17)18-11-12-18/h7,10,16-18,24H,5-6,8-9,11-15H2,1-4H3,(H,25,29)/b10-7-
InChIKeyJPIRHULXDLHJMK-YFHOEESVSA-N
XLogP2.96
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide (CID 170077966) is N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide is CCC/C=C\c1c(NC)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O.
What is the InChIKey of N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is JPIRHULXDLHJMK-YFHOEESVSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-5-6-7-10-19-22(24-4)21(16(2)3)26-28(23(19)30)15-20(29)25-17-9-8-13-27(14-17)18-11-12-18/h7,10,16-18,24H,5-6,8-9,11-15H2,1-4H3,(H,25,29)/b10-7-.
What are the key properties of N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 415.58 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 170077966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).