N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C18H28N6O3 — CID 167823637

IUPACN-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN1CCC[C@H]1C(=O)NCC(CO)NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C18H28N6O3/c1-23-8-4-5-15(23)18(27)19-11-13(12-25)20-17(26)14-6-7-16(22-21-14)24-9-2-3-10-24/h6-7,13,15,25H,2-5,8-12H2,1H3,(H,19,27)(H,20,26)/t13?,15-/m0/s1
InChIKeyAZBVFMMOQYKLOW-WUJWULDRSA-N
MW376.46 g/mol
LogP-0.62
Rot. Bonds7

About N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 167823637) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID167823637
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC NameN-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN1CCC[C@H]1C(=O)NCC(CO)NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C18H28N6O3/c1-23-8-4-5-15(23)18(27)19-11-13(12-25)20-17(26)14-6-7-16(22-21-14)24-9-2-3-10-24/h6-7,13,15,25H,2-5,8-12H2,1H3,(H,19,27)(H,20,26)/t13?,15-/m0/s1
InChIKeyAZBVFMMOQYKLOW-WUJWULDRSA-N
XLogP-0.62
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 126806538
N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119368696
6-pyrrolidin-1-yl-N-[(3S)-1,1,1-trifluorohex-5-yn-3-yl]pyridazine-3-carboxamide
CID 125420216
6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045089
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 138037708
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 167823637) is N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CN1CCC[C@H]1C(=O)NCC(CO)NC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is AZBVFMMOQYKLOW-WUJWULDRSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-23-8-4-5-15(23)18(27)19-11-13(12-25)20-17(26)14-6-7-16(22-21-14)24-9-2-3-10-24/h6-7,13,15,25H,2-5,8-12H2,1H3,(H,19,27)(H,20,26)/t13?,15-/m0/s1.
What are the key properties of N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 167823637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).