4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride

C11H19Cl2N3O — CID 120564262

IUPAC4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
SMILESCc1cc(NC(=O)CCC(C)N)ccn1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-8(12)3-4-11(15)14-10-5-6-13-9(2)7-10;;/h5-8H,3-4,12H2,1-2H3,(H,13,14,15);2*1H
InChIKeyQWMPBULGBSVAEA-UHFFFAOYSA-N
MW280.20 g/mol
LogP2.30
Rot. Bonds4

About 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride

4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride (PubChem CID 120564262) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
PubChem CID120564262
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
SMILESCc1cc(NC(=O)CCC(C)N)ccn1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-8(12)3-4-11(15)14-10-5-6-13-9(2)7-10;;/h5-8H,3-4,12H2,1-2H3,(H,13,14,15);2*1H
InChIKeyQWMPBULGBSVAEA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
CID 81079755
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
N-(2-methyl-4-pyridinyl)hept-6-ynamide
CID 123868405
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride (CID 120564262) is 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride is Cc1cc(NC(=O)CCC(C)N)ccn1.Cl.Cl.
What is the InChIKey of 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
The InChIKey is QWMPBULGBSVAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-8(12)3-4-11(15)14-10-5-6-13-9(2)7-10;;/h5-8H,3-4,12H2,1-2H3,(H,13,14,15);2*1H.
What are the key properties of 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride?
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride is sourced from PubChem (CID 120564262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).