6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide

C13H22N4O — CID 62186029

IUPAC6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
SMILESCCCCN(C(=O)c1ccc(N)nn1)C(C)CC
InChIInChI=1S/C13H22N4O/c1-4-6-9-17(10(3)5-2)13(18)11-7-8-12(14)16-15-11/h7-8,10H,4-6,9H2,1-3H3,(H2,14,16)
InChIKeyMSYADNHYVFDXNQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.10
Rot. Bonds6

About 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide

6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide (PubChem CID 62186029) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
PubChem CID62186029
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
SMILESCCCCN(C(=O)c1ccc(N)nn1)C(C)CC
InChIInChI=1S/C13H22N4O/c1-4-6-9-17(10(3)5-2)13(18)11-7-8-12(14)16-15-11/h7-8,10H,4-6,9H2,1-3H3,(H2,14,16)
InChIKeyMSYADNHYVFDXNQ-UHFFFAOYSA-N
XLogP2.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 62953059
N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
CID 78954217
3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
CID 61105822
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
N-butan-2-yl-N-butyl-6-(ethylamino)pyridine-2-carboxamide
CID 62234511
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030
N-butan-2-yl-N-butylfuran-3-carboxamide
CID 78858377
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide (CID 62186029) is 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide is CCCCN(C(=O)c1ccc(N)nn1)C(C)CC.
What is the InChIKey of 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide?
The InChIKey is MSYADNHYVFDXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-9-17(10(3)5-2)13(18)11-7-8-12(14)16-15-11/h7-8,10H,4-6,9H2,1-3H3,(H2,14,16).
What are the key properties of 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide?
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide is sourced from PubChem (CID 62186029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).