(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C17H19ClN4O2 — CID 95115412

IUPAC(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H19ClN4O2/c18-15-6-2-1-4-12(15)9-19-17(24)13-5-3-7-22(11-13)14-8-16(23)21-20-10-14/h1-2,4,6,8,10,13H,3,5,7,9,11H2,(H,19,24)(H,21,23)/t13-/m1/s1
InChIKeyYUEDNMZPKQBBLS-CYBMUJFWSA-N
MW346.82 g/mol
LogP1.96
Rot. Bonds4

About (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 95115412) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID95115412
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H19ClN4O2/c18-15-6-2-1-4-12(15)9-19-17(24)13-5-3-7-22(11-13)14-8-16(23)21-20-10-14/h1-2,4,6,8,10,13H,3,5,7,9,11H2,(H,19,24)(H,21,23)/t13-/m1/s1
InChIKeyYUEDNMZPKQBBLS-CYBMUJFWSA-N
XLogP1.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115413
N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203871
(3R)-N-[[4-(diethylamino)phenyl]methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115454
(3R)-N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115370
N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203819
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53204111
N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889395
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95115555
(3S)-N-(3,4-dimethylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115303
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 95115412) is (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is YUEDNMZPKQBBLS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-15-6-2-1-4-12(15)9-19-17(24)13-5-3-7-22(11-13)14-8-16(23)21-20-10-14/h1-2,4,6,8,10,13H,3,5,7,9,11H2,(H,19,24)(H,21,23)/t13-/m1/s1.
What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95115412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).