(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide

C12H19N3O — CID 61148599

IUPAC(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C12H19N3O/c1-4-9(3)11(13)12(16)15-10-7-8(2)5-6-14-10/h5-7,9,11H,4,13H2,1-3H3,(H,14,15,16)/t9-,11-/m0/s1
InChIKeyUJZIFVCQCQSERO-ONGXEEELSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide (PubChem CID 61148599) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
PubChem CID61148599
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C12H19N3O/c1-4-9(3)11(13)12(16)15-10-7-8(2)5-6-14-10/h5-7,9,11H,4,13H2,1-3H3,(H,14,15,16)/t9-,11-/m0/s1
InChIKeyUJZIFVCQCQSERO-ONGXEEELSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
CID 71847661
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
2-ethyl-N-(4-methyl-2-pyridinyl)hexanamide
CID 4195795
(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide (CID 61148599) is (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cc(C)ccn1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
The InChIKey is UJZIFVCQCQSERO-ONGXEEELSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9(3)11(13)12(16)15-10-7-8(2)5-6-14-10/h5-7,9,11H,4,13H2,1-3H3,(H,14,15,16)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide is sourced from PubChem (CID 61148599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).