N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide

C22H29N5O2 — CID 72705414

IUPACN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccnn3)c2)CC1
InChIInChI=1S/C22H29N5O2/c1-22(2,3)25-20(28)17-9-12-27(13-10-17)15-16-6-4-7-18(14-16)24-21(29)19-8-5-11-23-26-19/h4-8,11,14,17H,9-10,12-13,15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyPUTLYJJKWRSULY-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.86
Rot. Bonds5

About N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide

N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide (PubChem CID 72705414) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
PubChem CID72705414
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccnn3)c2)CC1
InChIInChI=1S/C22H29N5O2/c1-22(2,3)25-20(28)17-9-12-27(13-10-17)15-16-6-4-7-18(14-16)24-21(29)19-8-5-11-23-26-19/h4-8,11,14,17H,9-10,12-13,15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyPUTLYJJKWRSULY-UHFFFAOYSA-N
XLogP2.86
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide (CID 72705414) is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccnn3)c2)CC1.
What is the InChIKey of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?
The InChIKey is PUTLYJJKWRSULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-22(2,3)25-20(28)17-9-12-27(13-10-17)15-16-6-4-7-18(14-16)24-21(29)19-8-5-11-23-26-19/h4-8,11,14,17H,9-10,12-13,15H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 72705414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).