N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C20H31N5O2 — CID 170078077

IUPACN-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESC/C=N/c1c(C)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O
InChIInChI=1S/C20H31N5O2/c1-5-21-19-14(4)18(13(2)3)23-25(20(19)27)12-17(26)22-15-7-6-10-24(11-15)16-8-9-16/h5,13,15-16H,6-12H2,1-4H3,(H,22,26)/b21-5+
InChIKeyNAJXWMZKWKUWHM-IGCPIRJNSA-N
MW373.50 g/mol
LogP2.14
Rot. Bonds6

About N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 170078077) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID170078077
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESC/C=N/c1c(C)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O
InChIInChI=1S/C20H31N5O2/c1-5-21-19-14(4)18(13(2)3)23-25(20(19)27)12-17(26)22-15-7-6-10-24(11-15)16-8-9-16/h5,13,15-16H,6-12H2,1-4H3,(H,22,26)/b21-5+
InChIKeyNAJXWMZKWKUWHM-IGCPIRJNSA-N
XLogP2.14
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 170078077) is N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is C/C=N/c1c(C)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O.
What is the InChIKey of N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is NAJXWMZKWKUWHM-IGCPIRJNSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-5-21-19-14(4)18(13(2)3)23-25(20(19)27)12-17(26)22-15-7-6-10-24(11-15)16-8-9-16/h5,13,15-16H,6-12H2,1-4H3,(H,22,26)/b21-5+.
What are the key properties of N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 170078077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).