6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide

C16H17ClN4O2 — CID 99857964

IUPAC6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC[C@H](Oc3ccccc3Cl)C2)nn1
InChIInChI=1S/C16H17ClN4O2/c17-12-5-1-2-6-14(12)23-11-4-3-9-21(10-11)15-8-7-13(16(18)22)19-20-15/h1-2,5-8,11H,3-4,9-10H2,(H2,18,22)/t11-/m0/s1
InChIKeyWTBUVQWUFHMEKE-NSHDSACASA-N
MW332.79 g/mol
LogP2.28
Rot. Bonds4

About 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide

6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 99857964) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID99857964
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC[C@H](Oc3ccccc3Cl)C2)nn1
InChIInChI=1S/C16H17ClN4O2/c17-12-5-1-2-6-14(12)23-11-4-3-9-21(10-11)15-8-7-13(16(18)22)19-20-15/h1-2,5-8,11H,3-4,9-10H2,(H2,18,22)/t11-/m0/s1
InChIKeyWTBUVQWUFHMEKE-NSHDSACASA-N
XLogP2.28
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 99857965
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133391003
6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
CID 16731863
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
CID 120873460
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine
CID 133390580

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide (CID 99857964) is 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide is NC(=O)c1ccc(N2CCC[C@H](Oc3ccccc3Cl)C2)nn1.
What is the InChIKey of 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is WTBUVQWUFHMEKE-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-5-1-2-6-14(12)23-11-4-3-9-21(10-11)15-8-7-13(16(18)22)19-20-15/h1-2,5-8,11H,3-4,9-10H2,(H2,18,22)/t11-/m0/s1.
What are the key properties of 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide?
6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 99857964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).