5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide

C16H19ClN6O — CID 133281186

IUPAC5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
SMILESCN(c1ncc(C(N)=O)cc1Cl)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19ClN6O/c1-22(16-13(17)8-11(9-19-16)15(18)24)12-4-3-7-23(10-12)14-5-2-6-20-21-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H2,18,24)
InChIKeyVASBLIHYAHZKHE-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.73
Rot. Bonds4

About 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide

5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 133281186) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
PubChem CID133281186
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
SMILESCN(c1ncc(C(N)=O)cc1Cl)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19ClN6O/c1-22(16-13(17)8-11(9-19-16)15(18)24)12-4-3-7-23(10-12)14-5-2-6-20-21-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H2,18,24)
InChIKeyVASBLIHYAHZKHE-UHFFFAOYSA-N
XLogP1.73
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 133281136
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 120503791
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
CID 133379059
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide (CID 133281186) is 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide is CN(c1ncc(C(N)=O)cc1Cl)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is VASBLIHYAHZKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-22(16-13(17)8-11(9-19-16)15(18)24)12-4-3-7-23(10-12)14-5-2-6-20-21-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3,(H2,18,24).
What are the key properties of 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide?
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133281186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).