N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C25H34N4O3 — CID 45207717

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)CC2CCCO2)=NN1
InChIInChI=1S/C25H34N4O3/c30-24-8-7-23(26-27-24)25(31)29(17-22-6-3-13-32-22)16-18-9-11-28(12-10-18)21-14-19-4-1-2-5-20(19)15-21/h1-2,4-5,18,21-22H,3,6-17H2,(H,27,30)
InChIKeyMSFDAQADGMJSIX-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.14
Rot. Bonds6

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 45207717) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID45207717
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)CC2CCCO2)=NN1
InChIInChI=1S/C25H34N4O3/c30-24-8-7-23(26-27-24)25(31)29(17-22-6-3-13-32-22)16-18-9-11-28(12-10-18)21-14-19-4-1-2-5-20(19)15-21/h1-2,4-5,18,21-22H,3,6-17H2,(H,27,30)
InChIKeyMSFDAQADGMJSIX-UHFFFAOYSA-N
XLogP2.14
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45174104
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 45205428
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42245792
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 45217413
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(furan-2-yl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42591494
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 25484957

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 45207717) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)CC2CCCO2)=NN1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is MSFDAQADGMJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c30-24-8-7-23(26-27-24)25(31)29(17-22-6-3-13-32-22)16-18-9-11-28(12-10-18)21-14-19-4-1-2-5-20(19)15-21/h1-2,4-5,18,21-22H,3,6-17H2,(H,27,30).
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 45207717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).