4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide

C11H18N4O — CID 115366128

IUPAC4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
SMILESCC(C)(CN)CNc1ccnc(C(N)=O)c1
InChIInChI=1S/C11H18N4O/c1-11(2,6-12)7-15-8-3-4-14-9(5-8)10(13)16/h3-5H,6-7,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyHSHXEAHQTILUIR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds5

About 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide

4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide (PubChem CID 115366128) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
PubChem CID115366128
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
SMILESCC(C)(CN)CNc1ccnc(C(N)=O)c1
InChIInChI=1S/C11H18N4O/c1-11(2,6-12)7-15-8-3-4-14-9(5-8)10(13)16/h3-5H,6-7,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyHSHXEAHQTILUIR-UHFFFAOYSA-N
XLogP0.58
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
4-[(2-methyl-2-phenylpropyl)amino]pyridine-2-carboxamide
CID 60988141
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-[(4-amino-2,2-dimethylbutyl)amino]-N-ethylpyridine-2-carboxamide
CID 106142444
4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
CID 63965708
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-(2,2-diphenylethylamino)pyridine-2-carboxamide
CID 133313862
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide (CID 115366128) is 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide is CC(C)(CN)CNc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide?
The InChIKey is HSHXEAHQTILUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,6-12)7-15-8-3-4-14-9(5-8)10(13)16/h3-5H,6-7,12H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide?
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 115366128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).