6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide

C21H24N6O2 — CID 122307519

IUPAC6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C21H24N6O2/c28-21(16-7-10-20(24-15-16)29-17-5-1-2-6-17)23-12-11-22-18-8-9-19(26-25-18)27-13-3-4-14-27/h3-4,7-10,13-15,17H,1-2,5-6,11-12H2,(H,22,25)(H,23,28)
InChIKeyYVRVTWAEQVTHRN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.83
Rot. Bonds8

About 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide

6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 122307519) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID122307519
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C21H24N6O2/c28-21(16-7-10-20(24-15-16)29-17-5-1-2-6-17)23-12-11-22-18-8-9-19(26-25-18)27-13-3-4-14-27/h3-4,7-10,13-15,17H,1-2,5-6,11-12H2,(H,22,25)(H,23,28)
InChIKeyYVRVTWAEQVTHRN-UHFFFAOYSA-N
XLogP2.83
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopentyloxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-3-carboxamide
CID 122327303
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307300
4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341679
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307431
6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122308691
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318605
2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307372
6-cyclopentyloxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298313
N-(3,3-diphenylpropyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730209

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (CID 122307519) is 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNc1ccc(-n2cccc2)nn1)c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is YVRVTWAEQVTHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-21(16-7-10-20(24-15-16)29-17-5-1-2-6-17)23-12-11-22-18-8-9-19(26-25-18)27-13-3-4-14-27/h3-4,7-10,13-15,17H,1-2,5-6,11-12H2,(H,22,25)(H,23,28).
What are the key properties of 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122307519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).