N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide

C13H21N3O — CID 43750569

IUPACN,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)7-12(13(17)14-3)16-9-11-5-4-6-15-8-11/h4-6,8,10,12,16H,7,9H2,1-3H3,(H,14,17)
InChIKeyGPBGCCQLGMMUOM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds6

About N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide

N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide (PubChem CID 43750569) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
PubChem CID43750569
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)7-12(13(17)14-3)16-9-11-5-4-6-15-8-11/h4-6,8,10,12,16H,7,9H2,1-3H3,(H,14,17)
InChIKeyGPBGCCQLGMMUOM-UHFFFAOYSA-N
XLogP1.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351478
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
2-[(3,4-dihydroxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750577
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate
CID 43750662
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351535
(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
CID 110351555
2-methyl-N-[(1S)-2,2,2-trichloro-1-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 821600
4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
CID 79425331

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide?
The IUPAC name of N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide (CID 43750569) is N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide.
What is the SMILES notation for N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide?
The canonical SMILES for N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide is CNC(=O)C(CC(C)C)NCc1cccnc1.
What is the InChIKey of N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide?
The InChIKey is GPBGCCQLGMMUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)7-12(13(17)14-3)16-9-11-5-4-6-15-8-11/h4-6,8,10,12,16H,7,9H2,1-3H3,(H,14,17).
What are the key properties of N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide?
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide is sourced from PubChem (CID 43750569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).