2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide

C16H19N7O3 — CID 133281136

IUPAC2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide
SMILESCN(c1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19N7O3/c1-21(16-13(15(17)24)8-12(9-18-16)23(25)26)11-4-3-7-22(10-11)14-5-2-6-19-20-14/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H2,17,24)
InChIKeyUZTUTBWPTLQQOY-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.98
Rot. Bonds5

About 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide

2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide (PubChem CID 133281136) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide
PubChem CID133281136
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide
SMILESCN(c1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19N7O3/c1-21(16-13(15(17)24)8-12(9-18-16)23(25)26)11-4-3-7-22(10-11)14-5-2-6-19-20-14/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H2,17,24)
InChIKeyUZTUTBWPTLQQOY-UHFFFAOYSA-N
XLogP0.98
TPSA131.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 133281109
6-ethyl-N-methyl-2-(4-nitrophenyl)-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281141
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide (CID 133281136) is 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide is CN(c1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide?
The InChIKey is UZTUTBWPTLQQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-21(16-13(15(17)24)8-12(9-18-16)23(25)26)11-4-3-7-22(10-11)14-5-2-6-19-20-14/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H2,17,24).
What are the key properties of 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide?
2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133281136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).