N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide

C19H28N4O2 — CID 168979869

IUPACN-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide
SMILESC=C(C)c1nn(CC(=O)NC2CCCN(C3CC3)C2)c(=O)c(C)c1C
InChIInChI=1S/C19H28N4O2/c1-12(2)18-13(3)14(4)19(25)23(21-18)11-17(24)20-15-6-5-9-22(10-15)16-7-8-16/h15-16H,1,5-11H2,2-4H3,(H,20,24)
InChIKeyZYOCNLAQKRKVRA-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.64
Rot. Bonds5

About N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide

N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide (PubChem CID 168979869) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide
PubChem CID168979869
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide
SMILESC=C(C)c1nn(CC(=O)NC2CCCN(C3CC3)C2)c(=O)c(C)c1C
InChIInChI=1S/C19H28N4O2/c1-12(2)18-13(3)14(4)19(25)23(21-18)11-17(24)20-15-6-5-9-22(10-15)16-7-8-16/h15-16H,1,5-11H2,2-4H3,(H,20,24)
InChIKeyZYOCNLAQKRKVRA-UHFFFAOYSA-N
XLogP1.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 72119508
N-((1-ethylpyrrolidin-2-yl)methyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
CID 71709367
CID 162432226
CID 162432226
2-[4-[(E)-2-chloroprop-1-enyl]-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 166975971
N-(1-cyclopropylpiperidin-3-yl)-2-[4-(methylamino)-6-oxo-5-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170077966
2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
CID 170077972
2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
CID 170078047
N-(1-cyclopropylpiperidin-3-yl)-2-[5-(ethylideneamino)-4-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170078077
N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 176648393
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 37331728
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 45813522
2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51221127

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide (CID 168979869) is N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide is C=C(C)c1nn(CC(=O)NC2CCCN(C3CC3)C2)c(=O)c(C)c1C.
What is the InChIKey of N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide?
The InChIKey is ZYOCNLAQKRKVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(2)18-13(3)14(4)19(25)23(21-18)11-17(24)20-15-6-5-9-22(10-15)16-7-8-16/h15-16H,1,5-11H2,2-4H3,(H,20,24).
What are the key properties of N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide?
N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-3-yl)-2-(4,5-dimethyl-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 168979869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).