N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide

C21H27N3O2 — CID 52574448

IUPACN-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCc2ccccc2)C2CCCC2)ccc1=O
InChIInChI=1S/C21H27N3O2/c1-2-15-24-20(25)13-12-19(22-24)21(26)23(18-10-6-7-11-18)16-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,18H,2,6-7,10-11,14-16H2,1H3
InChIKeyVSZUVEWVDSFPSQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.28
Rot. Bonds7

About N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide

N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide (PubChem CID 52574448) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
PubChem CID52574448
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCc2ccccc2)C2CCCC2)ccc1=O
InChIInChI=1S/C21H27N3O2/c1-2-15-24-20(25)13-12-19(22-24)21(26)23(18-10-6-7-11-18)16-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,18H,2,6-7,10-11,14-16H2,1H3
InChIKeyVSZUVEWVDSFPSQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-oxo-N-propyl-N-pyrrolidin-3-ylpyridazine-3-carboxamide
CID 119532868
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
2-N-cyclohexyl-2-N-(2-phenylethyl)pyrazine-2,5-dicarboxamide
CID 137338224
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 55613399

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide (CID 52574448) is N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(CCc2ccccc2)C2CCCC2)ccc1=O.
What is the InChIKey of N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide?
The InChIKey is VSZUVEWVDSFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-15-24-20(25)13-12-19(22-24)21(26)23(18-10-6-7-11-18)16-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,18H,2,6-7,10-11,14-16H2,1H3.
What are the key properties of N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide?
N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 52574448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).