N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide

C16H27N3O — CID 81243343

IUPACN-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-8-17-14-9-11(2)18-10-13(14)15(20)19(7)12(3)16(4,5)6/h9-10,12H,8H2,1-7H3,(H,17,18)
InChIKeyGPVFTJDXIKZAIJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.33
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81243343) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide
PubChem CID81243343
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-8-17-14-9-11(2)18-10-13(14)15(20)19(7)12(3)16(4,5)6/h9-10,12H,8H2,1-7H3,(H,17,18)
InChIKeyGPVFTJDXIKZAIJ-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846
4-(ethylamino)-N,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664208
N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide
CID 81243094
4-(ethylamino)-6-methyl-N,N-dipropylpyridine-3-carboxamide
CID 81235841
N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81237786
4-(ethylamino)-6-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 81240303
N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81234363
N-butan-2-yl-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256038
N,6-dimethyl-N-(2-methylpropyl)-4-(propylamino)pyridine-3-carboxamide
CID 81236127
4-hydrazinyl-N,6-dimethyl-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 81255755
N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide
CID 81240756
N-ethyl-4-(ethylamino)-6-methyl-N-phenylpyridine-3-carboxamide
CID 81238221

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide (CID 81243343) is N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is GPVFTJDXIKZAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-8-17-14-9-11(2)18-10-13(14)15(20)19(7)12(3)16(4,5)6/h9-10,12H,8H2,1-7H3,(H,17,18).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81243343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).