N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C21H37N5O3 — CID 42513986

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C21H37N5O3/c1-3-25-10-4-5-18(25)16-26(21(28)19-6-7-20(27)23-22-19)15-17-8-11-24(12-9-17)13-14-29-2/h17-18H,3-16H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyAKVDIMRGIARBQM-GOSISDBHSA-N
MW407.56 g/mol
LogP0.92
Rot. Bonds9

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 42513986) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID42513986
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C21H37N5O3/c1-3-25-10-4-5-18(25)16-26(21(28)19-6-7-20(27)23-22-19)15-17-8-11-24(12-9-17)13-14-29-2/h17-18H,3-16H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyAKVDIMRGIARBQM-GOSISDBHSA-N
XLogP0.92
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45226089
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
CID 45175059
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
CID 45168001
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771
5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 29153862
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45212641
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
CID 45229833
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
N-methyl-6-oxo-N-(2-piperidin-1-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110752381
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 124938633
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 43582931

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 42513986) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is AKVDIMRGIARBQM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-3-25-10-4-5-18(25)16-26(21(28)19-6-7-20(27)23-22-19)15-17-8-11-24(12-9-17)13-14-29-2/h17-18H,3-16H2,1-2H3,(H,23,27)/t18-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42513986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).