2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide

C19H24N6O — CID 166254401

IUPAC2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2cccnn2)CC1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C19H24N6O/c26-19(14-6-10-20-17(13-14)22-15-3-1-4-15)23-16-7-11-25(12-8-16)18-5-2-9-21-24-18/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H,20,22)(H,23,26)
InChIKeyMAVIKZYLEIQPOF-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.23
Rot. Bonds5

About 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide

2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 166254401) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID166254401
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2cccnn2)CC1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C19H24N6O/c26-19(14-6-10-20-17(13-14)22-15-3-1-4-15)23-16-7-11-25(12-8-16)18-5-2-9-21-24-18/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H,20,22)(H,23,26)
InChIKeyMAVIKZYLEIQPOF-UHFFFAOYSA-N
XLogP2.23
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide (CID 166254401) is 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide is O=C(NC1CCN(c2cccnn2)CC1)c1ccnc(NC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is MAVIKZYLEIQPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-19(14-6-10-20-17(13-14)22-15-3-1-4-15)23-16-7-11-25(12-8-16)18-5-2-9-21-24-18/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H,20,22)(H,23,26).
What are the key properties of 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide?
2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166254401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).