6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide

C14H25N5O — CID 133349282

IUPAC6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)C(C)(C)CN(C)C)nn1
InChIInChI=1S/C14H25N5O/c1-10(14(2,3)9-19(5)6)16-12-8-7-11(17-18-12)13(20)15-4/h7-8,10H,9H2,1-6H3,(H,15,20)(H,16,18)
InChIKeyHLHLJEDNGYDKLQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.22
Rot. Bonds6

About 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide

6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 133349282) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID133349282
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)C(C)(C)CN(C)C)nn1
InChIInChI=1S/C14H25N5O/c1-10(14(2,3)9-19(5)6)16-12-8-7-11(17-18-12)13(20)15-4/h7-8,10H,9H2,1-6H3,(H,15,20)(H,16,18)
InChIKeyHLHLJEDNGYDKLQ-UHFFFAOYSA-N
XLogP1.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-[2-[cyclopropyl(methyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
CID 103718448
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[[(2R)-1-hydroxybutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133434733
6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79214306
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
N-methyl-6-(1-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005908
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide (CID 133349282) is 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NC(C)C(C)(C)CN(C)C)nn1.
What is the InChIKey of 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is HLHLJEDNGYDKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(14(2,3)9-19(5)6)16-12-8-7-11(17-18-12)13(20)15-4/h7-8,10H,9H2,1-6H3,(H,15,20)(H,16,18).
What are the key properties of 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide?
6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133349282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).