6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide

C14H25N5O — CID 107159223

IUPAC6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCC(N)CC(C)(C)C)nn1
InChIInChI=1S/C14H25N5O/c1-14(2,3)8-10(15)9-16-12-7-6-11(17-18-12)13(20)19(4)5/h6-7,10H,8-9,15H2,1-5H3,(H,16,18)
InChIKeyNEVZXXMHZGGERX-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.35
Rot. Bonds5

About 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide

6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide (PubChem CID 107159223) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide
PubChem CID107159223
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCC(N)CC(C)(C)C)nn1
InChIInChI=1S/C14H25N5O/c1-14(2,3)8-10(15)9-16-12-7-6-11(17-18-12)13(20)19(4)5/h6-7,10H,8-9,15H2,1-5H3,(H,16,18)
InChIKeyNEVZXXMHZGGERX-UHFFFAOYSA-N
XLogP1.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(carbamoylamino)ethylamino]-N,N-dimethylpyridazine-3-carboxamide
CID 83114171
6-hydrazinyl-N,N-dimethylpyridazine-3-carboxamide
CID 62236767
2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
CID 83203413
N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide
CID 106329496
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 107159183
N,N-dimethyl-6-[(2-methylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 107419298
N,N-dimethyl-6-[(1-methylpyrazol-3-yl)methylamino]pyridazine-3-carboxamide
CID 82874048
N-(2,2-dimethylpropyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62178802
6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
CID 102913837
2-[1-[[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]methyl]cyclobutyl]acetic acid
CID 81163939
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide
CID 62237902
N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 106418721

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide?
The IUPAC name of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide (CID 107159223) is 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide is CN(C)C(=O)c1ccc(NCC(N)CC(C)(C)C)nn1.
What is the InChIKey of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide?
The InChIKey is NEVZXXMHZGGERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)8-10(15)9-16-12-7-6-11(17-18-12)13(20)19(4)5/h6-7,10H,8-9,15H2,1-5H3,(H,16,18).
What are the key properties of 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide?
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide is sourced from PubChem (CID 107159223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).