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

C17H19ClN4O2 — CID 53203871

IUPACN-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H19ClN4O2/c18-14-5-1-3-12(7-14)9-19-17(24)13-4-2-6-22(11-13)15-8-16(23)21-20-10-15/h1,3,5,7-8,10,13H,2,4,6,9,11H2,(H,19,24)(H,21,23)
InChIKeyYPBVIHJCPLRTJS-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.96
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203871) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203871
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H19ClN4O2/c18-14-5-1-3-12(7-14)9-19-17(24)13-4-2-6-22(11-13)15-8-16(23)21-20-10-15/h1,3,5,7-8,10,13H,2,4,6,9,11H2,(H,19,24)(H,21,23)
InChIKeyYPBVIHJCPLRTJS-UHFFFAOYSA-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

(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115412
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115413
(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
(3R)-N-[[4-(diethylamino)phenyl]methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115454
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
(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
N-[2-[benzyl(ethyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53204111
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889627
N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
CID 91906995
(3R)-N-[(3-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 92703757

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203871) is N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is YPBVIHJCPLRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-5-1-3-12(7-14)9-19-17(24)13-4-2-6-22(11-13)15-8-16(23)21-20-10-15/h1,3,5,7-8,10,13H,2,4,6,9,11H2,(H,19,24)(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-[(3-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 N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).