6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide

C16H18N4O2 — CID 38442945

IUPAC6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H18N4O2/c21-15-7-6-14(18-19-15)16(22)17-10-12-8-9-20(11-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,22)(H,19,21)/t12-/m0/s1
InChIKeyZKBPASQCOGUPOZ-LBPRGKRZSA-N
MW298.35 g/mol
LogP1.03
Rot. Bonds4

About 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide (PubChem CID 38442945) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
PubChem CID38442945
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H18N4O2/c21-15-7-6-14(18-19-15)16(22)17-10-12-8-9-20(11-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,22)(H,19,21)/t12-/m0/s1
InChIKeyZKBPASQCOGUPOZ-LBPRGKRZSA-N
XLogP1.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
CID 43071245
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
6-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylpyridazine-3-carboxamide
CID 43065015
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106128896

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide (CID 38442945) is 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide is O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is ZKBPASQCOGUPOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15-7-6-14(18-19-15)16(22)17-10-12-8-9-20(11-12)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,22)(H,19,21)/t12-/m0/s1.
What are the key properties of 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 38442945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).