1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C16H18ClN5O2 — CID 47066461

IUPAC1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3cn[nH]c(=O)c3Cl)C2)n1
InChIInChI=1S/C16H18ClN5O2/c1-10-4-2-6-13(19-10)20-15(23)11-5-3-7-22(9-11)12-8-18-21-16(24)14(12)17/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,21,24)(H,19,20,23)
InChIKeyPMNBULHPNUYCMN-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.98
Rot. Bonds3

About 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 47066461) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID47066461
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3cn[nH]c(=O)c3Cl)C2)n1
InChIInChI=1S/C16H18ClN5O2/c1-10-4-2-6-13(19-10)20-15(23)11-5-3-7-22(9-11)12-8-18-21-16(24)14(12)17/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,21,24)(H,19,20,23)
InChIKeyPMNBULHPNUYCMN-UHFFFAOYSA-N
XLogP1.98
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94796058
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326854
1-(4-chloro-2-nitrophenyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133270010
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 22430686
N-(6-methyl-2-pyridinyl)-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
CID 47066462
1-imidazo[1,5-a]pyrazin-8-yl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136568327
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 47066461) is 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3cn[nH]c(=O)c3Cl)C2)n1.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PMNBULHPNUYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-10-4-2-6-13(19-10)20-15(23)11-5-3-7-22(9-11)12-8-18-21-16(24)14(12)17/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,21,24)(H,19,20,23).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 47066461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).