2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide

C12H20N4O — CID 115310819

IUPAC2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide
SMILESCC(C)C(C)(CN)Nc1cc(C(N)=O)ccn1
InChIInChI=1S/C12H20N4O/c1-8(2)12(3,7-13)16-10-6-9(11(14)17)4-5-15-10/h4-6,8H,7,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyFZLBZZDSLMVQSI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds5

About 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide

2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide (PubChem CID 115310819) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide
PubChem CID115310819
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide
SMILESCC(C)C(C)(CN)Nc1cc(C(N)=O)ccn1
InChIInChI=1S/C12H20N4O/c1-8(2)12(3,7-13)16-10-6-9(11(14)17)4-5-15-10/h4-6,8H,7,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyFZLBZZDSLMVQSI-UHFFFAOYSA-N
XLogP0.97
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
CID 64539180
2-(methylamino)pyridine-4-carboxamide
CID 45084294
2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
CID 61020016
2-(carbamothioylamino)pyridine-4-carboxamide
CID 175468942
2-[(2-amino-2-phenylethyl)amino]pyridine-4-carboxamide
CID 63120769
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313
2-propan-2-ylpyridine-4-carboxamide
CID 53424773
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
3-methyl-3-[(4-methyl-2-pyridinyl)amino]butanamide
CID 106097095

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide (CID 115310819) is 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide is CC(C)C(C)(CN)Nc1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide?
The InChIKey is FZLBZZDSLMVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)12(3,7-13)16-10-6-9(11(14)17)4-5-15-10/h4-6,8H,7,13H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide?
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 115310819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).