(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide

C13H21N3O — CID 61155588

IUPAC(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)12(14)13(17)16(3)9-11-6-5-7-15-8-11/h5-8,10,12H,4,9,14H2,1-3H3/t10-,12-/m0/s1
InChIKeyCEAYIGNJWVVCFI-JQWIXIFHSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds5

About (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide

(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 61155588) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID61155588
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-10(2)12(14)13(17)16(3)9-11-6-5-7-15-8-11/h5-8,10,12H,4,9,14H2,1-3H3/t10-,12-/m0/s1
InChIKeyCEAYIGNJWVVCFI-JQWIXIFHSA-N
XLogP1.41
TPSA59.22 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
methyl 3-methyl-2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoate
CID 115188075
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide (CID 61155588) is (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)Cc1cccnc1.
What is the InChIKey of (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is CEAYIGNJWVVCFI-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10(2)12(14)13(17)16(3)9-11-6-5-7-15-8-11/h5-8,10,12H,4,9,14H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide?
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 61155588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).