6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide

C13H21N5O2 — CID 115669069

IUPAC6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCC(=O)NC(C)(C)C)nn1
InChIInChI=1S/C13H21N5O2/c1-13(2,3)16-11(19)7-8-15-10-6-5-9(17-18-10)12(20)14-4/h5-6H,7-8H2,1-4H3,(H,14,20)(H,15,18)(H,16,19)
InChIKeyYPCIOQPFRACRMW-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.55
Rot. Bonds5

About 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide

6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 115669069) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID115669069
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCC(=O)NC(C)(C)C)nn1
InChIInChI=1S/C13H21N5O2/c1-13(2,3)16-11(19)7-8-15-10-6-5-9(17-18-10)12(20)14-4/h5-6H,7-8H2,1-4H3,(H,14,20)(H,15,18)(H,16,19)
InChIKeyYPCIOQPFRACRMW-UHFFFAOYSA-N
XLogP0.55
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 79207468
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide (CID 115669069) is 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCC(=O)NC(C)(C)C)nn1.
What is the InChIKey of 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is YPCIOQPFRACRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-13(2,3)16-11(19)7-8-15-10-6-5-9(17-18-10)12(20)14-4/h5-6H,7-8H2,1-4H3,(H,14,20)(H,15,18)(H,16,19).
What are the key properties of 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 115669069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).