N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide

C13H21N3O — CID 78956363

IUPACN,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
SMILESCCC(CC)Nc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-5-11(6-2)15-12-8-7-10(9-14-12)13(17)16(3)4/h7-9,11H,5-6H2,1-4H3,(H,14,15)
InChIKeyRHVWADUCBVOJHF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds5

About N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide

N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide (PubChem CID 78956363) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
PubChem CID78956363
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
SMILESCCC(CC)Nc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-5-11(6-2)15-12-8-7-10(9-14-12)13(17)16(3)4/h7-9,11H,5-6H2,1-4H3,(H,14,15)
InChIKeyRHVWADUCBVOJHF-UHFFFAOYSA-N
XLogP2.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 114161515
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 135107702
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956162
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737
6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 138045425
6-(ethylamino)-N-methyl-N-pentan-3-ylpyridine-3-carboxamide
CID 55046782
6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide
CID 115657823

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide (CID 78956363) is N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide is CCC(CC)Nc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide?
The InChIKey is RHVWADUCBVOJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-11(6-2)15-12-8-7-10(9-14-12)13(17)16(3)4/h7-9,11H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide?
N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 78956363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).