4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide

C12H20N4O — CID 113282785

IUPAC4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCC(C)(C)N)ccn1
InChIInChI=1S/C12H20N4O/c1-12(2,13)8-15-9-5-6-14-10(7-9)11(17)16(3)4/h5-7H,8,13H2,1-4H3,(H,14,15)
InChIKeyFYZAKGITIZKZHZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds4

About 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide

4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 113282785) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID113282785
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCC(C)(C)N)ccn1
InChIInChI=1S/C12H20N4O/c1-12(2,13)8-15-9-5-6-14-10(7-9)11(17)16(3)4/h5-7H,8,13H2,1-4H3,(H,14,15)
InChIKeyFYZAKGITIZKZHZ-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N,N-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxamide
CID 63828084
N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
CID 43402718
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
4-[(1-methoxy-2-methylpropan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113470431
4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 65243446
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
CID 63281075
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide (CID 113282785) is 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(NCC(C)(C)N)ccn1.
What is the InChIKey of 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is FYZAKGITIZKZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,13)8-15-9-5-6-14-10(7-9)11(17)16(3)4/h5-7H,8,13H2,1-4H3,(H,14,15).
What are the key properties of 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide?
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 113282785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).