2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide

C18H22N4O3 — CID 91815497

IUPAC2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCn1ncccc1=O)c1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H22N4O3/c23-17-7-3-10-21-22(17)12-4-9-20-18(24)14-8-11-19-16(13-14)25-15-5-1-2-6-15/h3,7-8,10-11,13,15H,1-2,4-6,9,12H2,(H,20,24)
InChIKeyADYAAYUXWDMGDY-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.78
Rot. Bonds7

About 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide

2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 91815497) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide
PubChem CID91815497
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCn1ncccc1=O)c1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H22N4O3/c23-17-7-3-10-21-22(17)12-4-9-20-18(24)14-8-11-19-16(13-14)25-15-5-1-2-6-15/h3,7-8,10-11,13,15H,1-2,4-6,9,12H2,(H,20,24)
InChIKeyADYAAYUXWDMGDY-UHFFFAOYSA-N
XLogP1.78
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734114
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528988
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235
2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948534
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
CID 120525108
2-cyclopentyloxy-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 91815511
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide (CID 91815497) is 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide is O=C(NCCCn1ncccc1=O)c1ccnc(OC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is ADYAAYUXWDMGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17-7-3-10-21-22(17)12-4-9-20-18(24)14-8-11-19-16(13-14)25-15-5-1-2-6-15/h3,7-8,10-11,13,15H,1-2,4-6,9,12H2,(H,20,24).
What are the key properties of 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide?
2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 91815497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).