N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide

C16H15N5O — CID 122590485

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C16H15N5O/c17-11-21-7-6-14(10-21)19-16(22)15-8-13(9-18-20-15)12-4-2-1-3-5-12/h1-5,8-9,14H,6-7,10H2,(H,19,22)/t14-/m1/s1
InChIKeyXTVTYNXGIGVUBK-CQSZACIVSA-N
MW293.33 g/mol
LogP1.43
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide (PubChem CID 122590485) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide
PubChem CID122590485
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)cnn2)C1
InChIInChI=1S/C16H15N5O/c17-11-21-7-6-14(10-21)19-16(22)15-8-13(9-18-20-15)12-4-2-1-3-5-12/h1-5,8-9,14H,6-7,10H2,(H,19,22)/t14-/m1/s1
InChIKeyXTVTYNXGIGVUBK-CQSZACIVSA-N
XLogP1.43
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-4-ylphenyl)propan-2-yl]benzamide
CID 45268510
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
8-[[4-fluoro-3-[4-(1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 124221381
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 24791246
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 44522213
N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 44522215
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-[3-(1H-pyrazol-5-yl)phenyl]propan-2-yl]benzamide
CID 45271888
N-[(2S)-1-(cyanomethylamino)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1-oxopropan-2-yl]benzamide
CID 45272742
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-3-ylphenyl)propan-2-yl]benzamide
CID 45272752

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide (CID 122590485) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide is N#CN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)cnn2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
The InChIKey is XTVTYNXGIGVUBK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N5O/c17-11-21-7-6-14(10-21)19-16(22)15-8-13(9-18-20-15)12-4-2-1-3-5-12/h1-5,8-9,14H,6-7,10H2,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 122590485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).