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

C16H18ClN5O2 — CID 94796058

IUPAC(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(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)/t11-/m1/s1
InChIKeyPMNBULHPNUYCMN-LLVKDONJSA-N
MW347.81 g/mol
LogP1.98
Rot. Bonds3

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

(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 94796058) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID94796058
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(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)/t11-/m1/s1
InChIKeyPMNBULHPNUYCMN-LLVKDONJSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 94796058) is (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN(c3cn[nH]c(=O)c3Cl)C2)n1.
What is the InChIKey of (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PMNBULHPNUYCMN-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-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 (3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 94796058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).