N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide

C22H29FN6O2 — CID 123250035

IUPACN-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(CNc2cnnc(-c3cc(NC(=O)C4CCCNC4)ncc3F)c2)CCOCC1
InChIInChI=1S/C22H29FN6O2/c1-22(4-7-31-8-5-22)14-26-16-9-19(29-27-12-16)17-10-20(25-13-18(17)23)28-21(30)15-3-2-6-24-11-15/h9-10,12-13,15,24H,2-8,11,14H2,1H3,(H,26,29)(H,25,28,30)
InChIKeyUIJWZWJEDGOMDR-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.84
Rot. Bonds6

About N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 123250035) has the molecular formula C22H29FN6O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID123250035
Molecular FormulaC22H29FN6O2
Molecular Weight428.51 g/mol
Exact Mass428.23
IUPAC NameN-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1(CNc2cnnc(-c3cc(NC(=O)C4CCCNC4)ncc3F)c2)CCOCC1
InChIInChI=1S/C22H29FN6O2/c1-22(4-7-31-8-5-22)14-26-16-9-19(29-27-12-16)17-10-20(25-13-18(17)23)28-21(30)15-3-2-6-24-11-15/h9-10,12-13,15,24H,2-8,11,14H2,1H3,(H,26,29)(H,25,28,30)
InChIKeyUIJWZWJEDGOMDR-UHFFFAOYSA-N
XLogP2.84
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 123250035) is N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide is CC1(CNc2cnnc(-c3cc(NC(=O)C4CCCNC4)ncc3F)c2)CCOCC1.
What is the InChIKey of N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is UIJWZWJEDGOMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6O2/c1-22(4-7-31-8-5-22)14-26-16-9-19(29-27-12-16)17-10-20(25-13-18(17)23)28-21(30)15-3-2-6-24-11-15/h9-10,12-13,15,24H,2-8,11,14H2,1H3,(H,26,29)(H,25,28,30).
What are the key properties of N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide?
N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 123250035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).