5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide

C12H20N4O — CID 114407840

IUPAC5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide
SMILESCC(Nc1nc(C(N)=O)ccc1N)C(C)(C)C
InChIInChI=1S/C12H20N4O/c1-7(12(2,3)4)15-11-8(13)5-6-9(16-11)10(14)17/h5-7H,13H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyRTDNYFYANGMJCP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.61
Rot. Bonds3

About 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide

5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide (PubChem CID 114407840) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide
PubChem CID114407840
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide
SMILESCC(Nc1nc(C(N)=O)ccc1N)C(C)(C)C
InChIInChI=1S/C12H20N4O/c1-7(12(2,3)4)15-11-8(13)5-6-9(16-11)10(14)17/h5-7H,13H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyRTDNYFYANGMJCP-UHFFFAOYSA-N
XLogP1.61
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(butan-2-ylamino)pyridine-2-carboxamide
CID 114404937
5-amino-6-(hexan-2-ylamino)pyridine-2-carboxamide
CID 114406333
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 114407679
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-2-carboxamide
CID 114406795
5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide
CID 114406741
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxamide
CID 114405909
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
5-amino-6-(1-phenylpropylamino)pyridine-2-carboxamide
CID 114406353
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
5-amino-6-(5-methoxypentylamino)pyridine-2-carboxamide
CID 114131934

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide (CID 114407840) is 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide is CC(Nc1nc(C(N)=O)ccc1N)C(C)(C)C.
What is the InChIKey of 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is RTDNYFYANGMJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(12(2,3)4)15-11-8(13)5-6-9(16-11)10(14)17/h5-7H,13H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide?
5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,3-dimethylbutan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114407840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).