(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride

C11H19Cl2N3O — CID 139893651

IUPAC(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccn1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-3-8(2)10(12)11(15)14-9-6-4-5-7-13-9;;/h4-8,10H,3,12H2,1-2H3,(H,13,14,15);2*1H/t8-,10-;;/m0../s1
InChIKeyPOUQZQPLJBXTPP-NKPZAKOOSA-N
MW280.20 g/mol
LogP2.24
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride

(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride (PubChem CID 139893651) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
PubChem CID139893651
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccn1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-3-8(2)10(12)11(15)14-9-6-4-5-7-13-9;;/h4-8,10H,3,12H2,1-2H3,(H,13,14,15);2*1H/t8-,10-;;/m0../s1
InChIKeyPOUQZQPLJBXTPP-NKPZAKOOSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
CID 77071895
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride (CID 139893651) is (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride is CC[C@H](C)[C@H](N)C(=O)Nc1ccccn1.Cl.Cl.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride?
The InChIKey is POUQZQPLJBXTPP-NKPZAKOOSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-3-8(2)10(12)11(15)14-9-6-4-5-7-13-9;;/h4-8,10H,3,12H2,1-2H3,(H,13,14,15);2*1H/t8-,10-;;/m0../s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride?
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 2.24, 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-pyridin-2-ylpentanamide;dihydrochloride is sourced from PubChem (CID 139893651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).