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

C13H22N4O — CID 106357820

IUPAC2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(C)C(CCN)Nc1ncccc1C(N)=O
InChIInChI=1S/C13H22N4O/c1-13(2,3)10(6-7-14)17-12-9(11(15)18)5-4-8-16-12/h4-5,8,10H,6-7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyIRIJRWAKEPTGTH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds5

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

2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 106357820) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
PubChem CID106357820
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(C)C(CCN)Nc1ncccc1C(N)=O
InChIInChI=1S/C13H22N4O/c1-13(2,3)10(6-7-14)17-12-9(11(15)18)5-4-8-16-12/h4-5,8,10H,6-7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyIRIJRWAKEPTGTH-UHFFFAOYSA-N
XLogP1.36
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62109131
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
CID 113334693
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
2-(methylcarbamoylamino)pyridine-3-carboxamide
CID 88995807
2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide
CID 114208165
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
CID 113227750

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide (CID 106357820) is 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide is CC(C)(C)C(CCN)Nc1ncccc1C(N)=O.
What is the InChIKey of 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is IRIJRWAKEPTGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)10(6-7-14)17-12-9(11(15)18)5-4-8-16-12/h4-5,8,10H,6-7,14H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide?
2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 106357820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).