N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide

C13H22N4O — CID 113439418

IUPACN-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccnnc1
InChIInChI=1S/C13H22N4O/c1-4-7-17(10-13(2,3)9-14)12(18)11-5-6-15-16-8-11/h5-6,8H,4,7,9-10,14H2,1-3H3
InChIKeyDQVDDMLZQKXILB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.31
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide (PubChem CID 113439418) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
PubChem CID113439418
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccnnc1
InChIInChI=1S/C13H22N4O/c1-4-7-17(10-13(2,3)9-14)12(18)11-5-6-15-16-8-11/h5-6,8H,4,7,9-10,14H2,1-3H3
InChIKeyDQVDDMLZQKXILB-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide (CID 113439418) is N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide is CCCN(CC(C)(C)CN)C(=O)c1ccnnc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide?
The InChIKey is DQVDDMLZQKXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-7-17(10-13(2,3)9-14)12(18)11-5-6-15-16-8-11/h5-6,8H,4,7,9-10,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide is sourced from PubChem (CID 113439418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).