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

C13H21N5O2 — CID 79207468

IUPAC6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)CCNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C13H21N5O2/c1-4-18(5-2)12(19)8-9-15-11-7-6-10(16-17-11)13(20)14-3/h6-7H,4-5,8-9H2,1-3H3,(H,14,20)(H,15,17)
InChIKeyGSKPZBHCOOPQLA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.51
Rot. Bonds7

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

6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 79207468) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID79207468
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)CCNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C13H21N5O2/c1-4-18(5-2)12(19)8-9-15-11-7-6-10(16-17-11)13(20)14-3/h6-7H,4-5,8-9H2,1-3H3,(H,14,20)(H,15,17)
InChIKeyGSKPZBHCOOPQLA-UHFFFAOYSA-N
XLogP0.51
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide (CID 79207468) is 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide is CCN(CC)C(=O)CCNc1ccc(C(=O)NC)nn1.
What is the InChIKey of 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is GSKPZBHCOOPQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-18(5-2)12(19)8-9-15-11-7-6-10(16-17-11)13(20)14-3/h6-7H,4-5,8-9H2,1-3H3,(H,14,20)(H,15,17).
What are the key properties of 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide?
6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 79207468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).